SCHEMBL1123774

SCHEMBL1123774

Cc1c(C(=O)c2cccs2)ccc(OCC(=O)Nc2ccc3ccncc3c2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.57
CYP2C9 P11712 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
KLK7 P49862 1/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.42
ATM Q13315 1/20 0.42
NOD2 Q9HC29 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1105179 0.92 CYP2C9 (0.57) NOTUMCYP2C9MEN1KMT2APOLB
SCHEMBL12201990 0.89 NOTUM (0.60) NOTUMCYP2C9MEN1KMT2APOLB
SCHEMBL1105181 0.83 NOTUM (0.65) NOTUMCYP2C9MEN1KMT2APOLB
SCHEMBL12202001 0.81 NOTUM (0.61) NOTUMCYP2C9MEN1KMT2APOLB
SCHEMBL12201987 0.80 NOTUM (0.65) NOTUMCYP2C9MEN1KMT2APOLB
SCHEMBL12201981 0.80 NOTUM (0.65) NOTUMCYP2C9MEN1KMT2APOLB
SCHEMBL12201982 0.76 NOTUM (0.58) NOTUMCYP2C9MEN1KMT2APOLB
SCHEMBL12201988 0.75 NOTUM (0.66) NOTUMMEN1KMT2APOLBNPC1
SCHEMBL12201992 0.75 NOTUM (0.59) NOTUMCYP2C9POLBMAPTCYP1A2
SCHEMBL12201989 0.73 NOTUM (0.58) NOTUMPOLBNPC1NOD2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153654-B2 2012-04-10 US disclosed
US-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 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 (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-20090186917-A1 6-And 7-amino isoquinoline compounds and methods for making and using the same COQ8A, MAP3K7, PRKG2 NOTUM 2328/4885CYP2C9 1318/4885MEN1 2679/4885

“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.