SCHEMBL3610359

SCHEMBL3610359

COc1ccc2[nH]c(C(=O)N[C@H]3CCNC3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.56
MAPT P10636 7/20 0.56
ALDH1A1 P00352 6/20 0.56
PDGFRB P09619 2/20 0.55
PDGFRA P16234 2/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HTR4 Q13639 1/20 0.53
PYGL P06737 1/20 0.52
PYGM P11217 1/20 0.52
FLT3 P36888 2/20 0.50
MLLT1 Q03111 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL3610362 1.00 KDM4E (0.56) KDM4EMAPTALDH1A1PDGFRBPDGFRA
SCHEMBL3610039 0.91 NPC1 (0.53) KDM4EMAPTALDH1A1PDGFRBPDGFRA
SCHEMBL3610037 0.91 NPC1 (0.53) KDM4EMAPTALDH1A1PDGFRBPDGFRA
SCHEMBL3602726 0.86 KDM4E (0.61) KDM4EMAPTMLLT1HDAC3HDAC1
SCHEMBL3602724 0.86 KDM4E (0.61) KDM4EMAPTMLLT1HDAC3HDAC1
SCHEMBL3605634 0.85 GHSR (0.55) KDM4EALDH1A1PDGFRBPDGFRANPC1
SCHEMBL3605632 0.85 GHSR (0.55) KDM4EALDH1A1PDGFRBPDGFRANPC1
SCHEMBL3609424 0.84 RAB9A (0.54) KDM4EALDH1A1PDGFRBPDGFRANPC1
SCHEMBL3609420 0.84 RAB9A (0.54) KDM4EALDH1A1PDGFRBPDGFRANPC1
SCHEMBL3612648 0.84 MAPK1 (0.51) HTR4MLLT1KMT2A

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT KDM4E 963/4885MAPT 3376/4885ALDH1A1 513/4885

“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.