Sugi Predict

Sugi Predict / Compounds / SCHEMBL1641430

SCHEMBL1641430

SCHEMBL1641430

Cc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ NSD3 Q9BZ95 10/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ NSD2 O96028 6/20 0.50
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ADORA2A P29274 3/20 0.45
▸ ADORA2B P29275 3/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL12940530 0.90 NSD3 (0.58) KMT2ALMNASMN1; SMN2NSD3ALDH1A1
SCHEMBL12941871 0.87 KMT2A (0.60) KMT2ALMNASMN1; SMN2NSD3NSD2
SCHEMBL28432009 0.87 NSD3 (0.60) KMT2ALMNASMN1; SMN2NSD3ALDH1A1
SCHEMBL29093423 0.85 NSD3 (0.67) KMT2ALMNASMN1; SMN2NSD3NSD2
SCHEMBL28897799 0.81 ADORA2A (0.50) KMT2ALMNASMN1; SMN2NSD3ALDH1A1
SCHEMBL28274655 0.81 LMNA (0.67) KMT2ALMNASMN1; SMN2ADORA2AADORA2B
SCHEMBL14285636 0.80 KMT2A (1.00) KMT2ALMNASMN1; SMN2NSD3ALDH1A1
SCHEMBL10016522 0.80 LMNA (1.00) KMT2ALMNASMN1; SMN2NSD3ALDH1A1
SCHEMBL14236564 0.78 KMT2A (0.77) KMT2ALMNASMN1; SMN2NSD3ALDH1A1
SCHEMBL13697546 0.77 KMT2A (0.79) KMT2ALMNASMN1; SMN2NSD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098295-A1 METHODS OF TREATING ANXIETY, ITCHING AND PSYCHIATRIC DISORDERS ZHUO MIN 2011-04-28 — — US claimed
US-11541060-B2 Pharmaceutical compositions for treating pain Forever Cheer Holding Limited (HK) 2023-01-03 — — US disclosed
EP-3403674-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN FOREVER CHEER INTERNATIONAL LTD (HK) 2021-06-30 — — EP disclosed
US-20200268766-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN Forever Cheer Holding Limited (HK) 2020-08-27 — — US disclosed
CN-108853110-B Compound A8 as histone methyltransferase NSD3 activity inhibitor and application thereof 江苏理工学院 2020-07-28 — — CN disclosed
CN-108853110-B Compound A8 as histone methyltransferase NSD3 activity inhibitor and application thereof 江苏理工学院 2020-07-28 — — CN disclosed
EP-3403674-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN Forever Cheer International Limited (HK) 2018-11-21 — — EP disclosed
EP-1948182-B1 METHOD FOR TREATING NEURONAL AND NON-NEURONAL PAIN ZHUO MIN (CA) 2012-12-12 — — EP disclosed
US-8124599-B2 Method for treating neuronal and non-neuronal pain FOREVER CHEER INTERNATIONAL LIMITED (HK) 2012-02-28 — — US disclosed
US-20110098295-A1 METHODS OF TREATING ANXIETY, ITCHING AND PSYCHIATRIC DISORDERS ZHUO MIN 2011-04-28 — — US disclosed
US-20110098295-A1 METHODS OF TREATING ANXIETY, ITCHING AND PSYCHIATRIC DISORDERS ZHUO MIN 2011-04-28 — — US disclosed
US-20110098295-A1 METHODS OF TREATING ANXIETY, ITCHING AND PSYCHIATRIC DISORDERS ZHUO MIN 2011-04-28 — — US disclosed
EP-2277595-A2 Compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-26 — — EP disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 — — US disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 — — US disclosed
US-20090233922-A1 Method for Treating Neuronal and Non-Neuronal Pain FOREVER CHEER INTERNATIONAL LIMITED (HK) 2009-09-17 — — US disclosed
US-20090233922-A1 Method for Treating Neuronal and Non-Neuronal Pain FOREVER CHEER INTERNATIONAL LIMITED (HK) 2009-09-17 — — US disclosed
WO-2007041863-A1 METHOD FOR TREATING NEURONAL AND NON-NEURONAL PAIN ZHUO MIN (CA) 2007-04-19 — — WO 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 (5 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-20100226931-A1 Compounds for immunopotentiation LY96, ICOS, PDCD1 KMT2A 1703/4885LMNA 4838/4885SMN1; SMN2 3821/4885
US-20200268766-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING PAIN OPRM1, OPRL1, OPRD1 KMT2A 1738/4885LMNA 4787/4885SMN1; SMN2 1558/4885
US-20110098295-A1 METHODS OF TREATING ANXIETY, ITCHING AND PSYCHIATRIC DISORDERS SLC18A2, SLC1A2, CRH KMT2A 1492/4885LMNA 3607/4885SMN1; SMN2 3599/4885
US-11541060-B2 Pharmaceutical compositions for treating pain OPRM1, OPRL1, OPRD1 KMT2A 1738/4885LMNA 4787/4885SMN1; SMN2 1558/4885
US-20090233922-A1 Method for Treating Neuronal and Non-Neuronal Pain OPRL1, ADCY1, GRIN1 KMT2A 3081/4885LMNA 2735/4885SMN1; SMN2 197/4885

“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.