SCHEMBL803675

SCHEMBL803675

O=c1ccnc(N2CCCC2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
ADORA1 P30542 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ADORA2A P29274 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.36
CHKA P35790 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
SCHEMBL7835747 0.98 HSD17B10 (0.49) HSD17B10ADORA1MEN1KMT2ACYP1A2
SCHEMBL1129663 0.85 HRH3 (0.44) HSD17B10CYP1A2KDM4E
SCHEMBL497431 0.84 DCTPP1 (0.48) HSD17B10MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL14921731 0.76 MEN1 (0.36) HSD17B10MEN1KMT2AACHESMN1; SMN2
SCHEMBL20606156 0.73 KMT2A (0.41) HSD17B10KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL18075521 0.72 MEN1 (0.37) MEN1KMT2ALMNASMN1; SMN2TAAR1
SCHEMBL8809712 0.71 MAPT (0.60) MEN1KMT2ACYP1A2KDM4EMAPK1
SCHEMBL28105990 0.69 ALOX15 (0.44) HSD17B10CYP2C19KDM4EALOX15HPGD
SCHEMBL21380958 0.68 MEN1 (0.40) HSD17B10ADORA1MEN1KMT2ACYP1A2
SCHEMBL5386409 0.67 HSD17B10 (0.74) HSD17B10MEN1KMT2AKDM4EMAPK1

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HSD17B10 4316/4885ADORA1 63/4885MEN1 2563/4885

“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.