SCHEMBL679708

SCHEMBL679708

NC(=S)Nc1ccc2nccnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.61
MAPT P10636 7/20 0.61
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 5/20 0.61
KDM4E B2RXH2 10/20 0.58
GAA P10253 3/20 0.58
STAT1 P42224 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 3/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30098950 0.81 KDM4E (0.59) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL4526983 0.80 NPC1 (0.67) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL4508303 0.80 MEN1 (0.55) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL9868243 0.76 MAPT (0.50) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL10277579 0.74 KDM4E (0.64) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL22658186 0.74 ADRA2A (0.52) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL13159758 0.73 NPC1 (0.48) KMT2AMEN1KDM4EL3MBTL1NPC1
SCHEMBL725810 0.72 ALDH1A1 (0.75) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL30394760 0.72 NPC1 (0.67) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL4523419 0.70 SMARCA2 (0.56) KMT2AALDH1A1SMN1; SMN2TP53HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112946157-B Application of fluorescent thiourea derivatization reagent in detection of 3-chloro-1, 2-propanediol 武汉轻工大学 2023-10-27 CN claimed
CN-112946157-A Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection 武汉轻工大学 2021-06-11 CN claimed
CN-112946157-B Application of fluorescent thiourea derivatization reagent in detection of 3-chloro-1, 2-propanediol 武汉轻工大学 2023-10-27 CN disclosed
CN-112946157-A Application of fluorescent thiourea derivatization reagent in 3-chloro-1, 2-propanediol detection 武汉轻工大学 2021-06-11 CN disclosed
US-20170216282-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders GALDERMA LABORATORIES INC 2017-08-03 US disclosed
US-20160220565-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders Galderma Laboratories, L.P. (US) 2016-08-04 US disclosed
CN-102743380-B Be used for the treatment of or prevent the compound of rosacea, preparation and method GALDERMA PHARMA SA (CH) 2015-08-12 CN disclosed
US-20150202202-A1 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING INFLAMMATORY SKIN DISORDERS Galderma Laboratories, L.P. (US) 2015-07-23 US disclosed
CN-104490884-A Compounds, Formulations, And Methods For Treating Or Preventing Rosacea GALDERMA PHARMA SA 2015-04-08 CN disclosed
US-8993571-B2 Compounds, formulations, and methods for treating or preventing inflammatory skin disorders Galderma Laboratories, L.P. (US) 2015-03-31 US disclosed
EP-2815748-A1 Compounds, formulations, and methods for treating or preventing rosacea Galderma Pharma S.A. (CH) 2014-12-24 EP disclosed
EP-1761266-A2 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING INFLAMMATORY SKIN DISORDERS Sansrosa Pharmaceutical Development, Inc. (US) 2007-03-14 EP disclosed
US-20060264515-A1 Compounds, formulations, and methods for ameliorating telangiectasias SANSROSA PHARMACEUTICAL DEVELOPMENTS, INC. 2006-11-23 US disclosed
CN-1829518-A Compounds, formulations and methods for treating or preventing rosacea SANSROSA PHARMACEUTICAL DEV IN (US) 2006-09-06 CN disclosed
US-20060171974-A1 Compounds, formulations, and methods for treating or preventing rosacea GALDERMA LABORATORIES INC. 2006-08-03 US disclosed
EP-1631293-A2 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING ROSACEA Sansrosa Pharmaceutical Development, Inc. (US) 2006-03-08 EP disclosed
US-20050276830-A1 Compounds, formulations, and methods for treating or preventing inflammatory skin disorders GALDERMA LABORATORIES INC. 2005-12-15 US disclosed
WO-2005115395-A2 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING INFLAMMATORY SKIN DISORDERS SANSROSA PHARMACEUTICAL DEVELOPMENT, INC. (US) 2005-12-08 WO disclosed
WO-2004105703-A2 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING ROSACEA SANSROSA PHARMACEUTICAL DEVELOPMENT, INC. (US) 2004-12-09 WO disclosed
US-20040242588-A1 Compounds, formulations, and methods for treating or preventing rosacea Galderma Holding SA (CH) 2004-12-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060171974-A1 Compounds, formulations, and methods for treating or preventing rosacea HRH1, HRH2, HRH4 KMT2A 1996/4885MAPT 3188/4885ALDH1A1 38/4885
US-20150202202-A1 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING INFLAMMATORY SKIN DISORDERS HRH4, HRH1, HRH3 KMT2A 3373/4885MAPT 3016/4885ALDH1A1 279/4885
US-20170216282-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 KMT2A 3373/4885MAPT 3016/4885ALDH1A1 279/4885
US-20050276830-A1 Compounds, formulations, and methods for treating or preventing inflammatory skin disorders HRH4, HRH1, HRH3 KMT2A 3373/4885MAPT 3016/4885ALDH1A1 279/4885
US-20160220565-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 KMT2A 3373/4885MAPT 3016/4885ALDH1A1 279/4885
US-20040242588-A1 Compounds, formulations, and methods for treating or preventing rosacea HRH1, HRH2, CYP8B1 KMT2A 1944/4885MAPT 2869/4885ALDH1A1 38/4885
US-20060264515-A1 Compounds, formulations, and methods for ameliorating telangiectasias ADRA2B, TEK, ADRB1 KMT2A 3602/4885MAPT 3951/4885ALDH1A1 1127/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.