SCHEMBL6979612

SCHEMBL6979612

CC(C)c1nc(-c2ccccc2Cl)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
HTT P42858 1/20 0.55
DPP4 P27487 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
GRM5 P41594 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL14931633 0.87 DPP4 (0.58) KMT2AHTTDPP4DPP7TSHR
SCHEMBL15479735 0.81 HTT (0.57) KMT2AHTTTSHRSMN1; SMN2RAB9A
SCHEMBL6976168 0.80 HTT (0.55) KMT2AHTTTSHRSMN1; SMN2RAB9A
SCHEMBL23911673 0.78 SMN1; SMN2 (0.53) KMT2ATSHRSMN1; SMN2RAB9ANPC1
SCHEMBL6979588 0.78 RAB9A (0.61) HTTTSHRSMN1; SMN2RAB9ANPC1
SCHEMBL9987876 0.77 L3MBTL1 (0.50) KMT2ATSHRSMN1; SMN2RAB9ANPC1
SCHEMBL9505522 0.77 NPC1 (0.70) KMT2ATSHRSMN1; SMN2RAB9ANPC1
SCHEMBL17069305 0.76 CASP3 (0.56) KMT2ATSHRRAB9ACASP3SENP8
SCHEMBL6979805 0.76 DPP4 (0.57) KMT2AHTTDPP4DPP7TSHR
SCHEMBL13510163 0.76 KMT2A (0.45) KMT2ADPP4DPP7TSHRSMN1; SMN2

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-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 KMT2A 4363/4885HTT 9/4885DPP4 1955/4885

“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.