SCHEMBL3799776

SCHEMBL3799776

COc1ccc(Cl)cc1Nc1nccs1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.60
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 3/20 0.49
TSHR P16473 1/20 0.49
SCN9A Q15858 5/20 0.47
USP2 O75604 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
LMNA P02545 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
SCHEMBL899473 0.79 ALDH1A1 (0.57) KMT2AMEN1POLBALDH1A1PKM
SCHEMBL29350571 0.78 MAPT (0.49) KCNMA1KMT2AMEN1ALDH1A1SCN9A
SCHEMBL23565733 0.78 KMT2A (0.61) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL3801686 0.75 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5314819 0.75 FADS1 (0.58) MAPK1TSHRLMNA
SCHEMBL11586612 0.75 SMN1; SMN2 (0.48) KCNMA1KMT2AMEN1POLBALDH1A1
SCHEMBL14478790 0.72 MEN1 (0.77) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL30765198 0.72 LMNA (0.66) KCNMA1KMT2AMEN1POLBALDH1A1
SCHEMBL28353263 0.72 LMNA (0.66) KCNMA1KMT2AMEN1POLBALDH1A1
SCHEMBL28204410 0.72 MEN1 (0.51) KCNMA1KMT2AMEN1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 US disclosed
US-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-10-28 US disclosed
WO-2009051909-A1 COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR CELLULAR PROCESSING AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 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 (1 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-20100273839-A1 Compounds Having Activity in Correcting Mutant-CFTR Processing and Uses Thereof CFTR, ABCC5, ABCB11 KCNMA1 1649/4885KMT2A 3993/4885MEN1 3605/4885

“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.