SCHEMBL1986128

SCHEMBL1986128

CCNC(=O)N1CCc2[nH]c3c(C=Cc4ccc(C)nc4)cccc3c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
CFTR P13569 2/20 0.41
CTSK P43235 7/20 0.39
MAPT P10636 3/20 0.37
BAZ2B Q9UIF8 3/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL1986126 1.00 KMT2A (0.46) KMT2ACFTRCTSKMAPTBAZ2B
SCHEMBL1990437 0.89 BAZ2B (0.49) CFTRCTSKMAPTBAZ2BLMNA
SCHEMBL1990436 0.89 BAZ2B (0.49) CFTRCTSKMAPTBAZ2BLMNA
SCHEMBL1988307 0.89 LMNA (0.48) KMT2ACFTRCTSKMAPTBAZ2B
SCHEMBL1988306 0.89 LMNA (0.48) KMT2ACFTRCTSKMAPTBAZ2B
SCHEMBL1992066 0.82 CHRNA7 (0.44) CFTRKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL1992069 0.82 CHRNA7 (0.44) CFTRKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL1987945 0.74 TAAR1 (0.47) KMT2AKDM4ETAAR1
SCHEMBL1987946 0.74 TAAR1 (0.47) KMT2AKDM4ETAAR1
SCHEMBL1989217 0.72 PADI4 (0.33) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809532-B2 Aza-ring fused indole and indoline derivatives ABBVIE INC. (US) 2014-08-19 US claimed
US-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
US-8809532-B2 Aza-ring fused indole and indoline derivatives ABBVIE INC. (US) 2014-08-19 US disclosed
US-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES ABBOTT LABORATORIES (US) 2011-06-23 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-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES INMT, IDO1, IDO2 KMT2A 84/4885CFTR 2902/4885CTSK 3860/4885

“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.