SCHEMBL18133802

SCHEMBL18133802

Cc1ccc(Cl)cc1-n1cc(C(=O)c2ccccc2)nn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.76
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 3/20 0.47
CA9 Q16790 3/20 0.47
ESRRA P11474 5/20 0.44
MAPT P10636 2/20 0.42
MDM2 Q00987 1/20 0.41
MIF P14174 1/20 0.41
GPR142 Q7Z601 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL18133805 0.87 KCNMA1 (0.57) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16118314 0.86 KCNMA1 (1.00) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14602792 0.86 KCNMA1 (0.56) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16118278 0.84 KCNMA1 (0.71) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16118288 0.84 KCNMA1 (0.81) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16982962 0.78 KCNMA1 (0.54) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4497568 0.78 KCNMA1 (0.55) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16118286 0.77 KCNMA1 (0.74) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16118277 0.76 KCNMA1 (0.73) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL18133796 0.76 KCNMA1 (0.62) KCNMA1NPC1RAB9ASMN1; SMN2KMT2A

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-9701646-B2 Small molecule inhibitors of PI3-kinase signaling TUFTS UNIVERSITY (US) 2017-07-11 US disclosed
US-20160297777-A1 SMALL MOLECULE INHIBITORS OF PI3-KINASE SIGNALING NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-13 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-20160297777-A1 SMALL MOLECULE INHIBITORS OF PI3-KINASE SIGNALING PIK3R5, PIK3R3, PIK3R4 KCNMA1 1031/4885NPC1 1243/4885RAB9A 608/4885

“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.