SCHEMBL3610037

SCHEMBL3610037

COc1ccc2cc(C(=O)N[C@@H]3CCNC3)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 6/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.51
HPGDS O60760 1/20 0.51
FLT3 P36888 3/20 0.50
HTR4 Q13639 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
POLB P06746 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3610039 1.00 NPC1 (0.53) NPC1RAB9AKMT2AMEN1HPGDS
SCHEMBL3609424 0.93 RAB9A (0.54) NPC1RAB9AKMT2AMEN1HPGDS
SCHEMBL3609420 0.93 RAB9A (0.54) NPC1RAB9AKMT2AMEN1HPGDS
SCHEMBL3610359 0.91 KDM4E (0.56) NPC1RAB9AKMT2AFLT3HTR4
SCHEMBL3610362 0.91 KDM4E (0.56) NPC1RAB9AKMT2AFLT3HTR4
SCHEMBL3611693 0.84 MAPK1 (0.51) KMT2AMEN1HTR4POLBSMYD3
SCHEMBL3611688 0.84 MAPK1 (0.51) KMT2AMEN1HTR4POLBSMYD3
SCHEMBL3612648 0.84 MAPK1 (0.51) KMT2AMEN1HTR4POLBSMYD3
Hydrochloric Acid SCHEMBL3609745 0.83 MAPK1 (0.50) KMT2AMEN1HTR4POLBSMYD3
Hydrochloric Acid SCHEMBL3609743 0.83 MAPK1 (0.50) KMT2AMEN1HTR4POLBSMYD3

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 NPC1 1710/4885RAB9A 3211/4885KMT2A 236/4885

“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.