SCHEMBL8418773

SCHEMBL8418773

CCn1c(C(=O)c2ccccc2)nc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
RECQL P46063 1/20 0.78
KDM4E B2RXH2 5/20 0.62
NPSR1 Q6W5P4 3/20 0.62
RAB9A P51151 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
POLB P06746 5/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 3/20 0.55

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
SCHEMBL3619365 0.87 MAPK1 (0.61) ALDH1A1SMN1; SMN2RECQLKDM4ENPSR1
SCHEMBL8228750 0.85 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2RECQLKDM4ENPSR1
SCHEMBL31008799 0.83 CYP1A2 (0.58) ALDH1A1SMN1; SMN2RECQLKDM4ENPSR1
SCHEMBL14259848 0.83 POLB (0.56) ALDH1A1SMN1; SMN2RECQLKDM4ENPSR1
SCHEMBL17263078 0.76 ACSS2 (0.56) ALDH1A1SMN1; SMN2RECQLKDM4ENPSR1
Dimethylamine SCHEMBL6930444 0.74 KDM4E (0.92) ALDH1A1SMN1; SMN2RECQLKDM4ENPSR1
SCHEMBL2719218 0.74 NPC1 (0.67) ALDH1A1SMN1; SMN2RECQLKDM4ENPSR1
SCHEMBL12397237 0.73 HTT (0.62) ALDH1A1SMN1; SMN2KDM4ENPSR1RAB9A
SCHEMBL18324322 0.73 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2RECQLKDM4ENPSR1
SCHEMBL9302226 0.73 HDAC1 (0.73) ALDH1A1SMN1; SMN2RECQLRAB9A

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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 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 (2 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R ALDH1A1 3184/4885SMN1; SMN2 4298/4885RECQL 3953/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK ALDH1A1 612/4885SMN1; SMN2 1534/4885RECQL 1776/4885

“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.