SCHEMBL3600145

SCHEMBL3600145

COC(=O)NCc1ccc(O)nc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA2A P29274 1/20 0.39
FAAH O00519 4/20 0.39
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
MLLT1 Q03111 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3600143 0.83 TSHR (0.53) TSHRSMN1; SMN2ALDH1A1RAB9ACYP1A2
SCHEMBL3604597 0.83 KMT2A (0.51) SMN1; SMN2ALDH1A1RAB9APOLBHPGD
SCHEMBL7252186 0.80 TSHR (0.69) TSHRSMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL19002500 0.78 CYP3A4 (0.51) ALDH1A1CYP3A4HPGDCYP2C19L3MBTL1
SCHEMBL3598006 0.77 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1
SCHEMBL19002501 0.76 HPGD (0.59) ALDH1A1RAB9AHPGDFAAHNPC1
Hydrochloric Acid SCHEMBL29094269 0.75 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1
SCHEMBL9580986 0.74 LOXL2 (0.41) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL9365919 0.74 ERCC1 (0.59) L3MBTL1NAMPT
SCHEMBL13955307 0.73 RECQL (0.66) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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 (2 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK TSHR 2079/4885SMN1; SMN2 4432/4885ALDH1A1 707/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 TSHR 3647/4885SMN1; SMN2 4329/4885ALDH1A1 902/4885

“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.