SCHEMBL4128341

SCHEMBL4128341

[c]1ccc2nc(-c3cccc4ccccc34)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 4/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
KDM6B O15054 1/20 0.36
FTO Q9C0B1 1/20 0.36
PTGS2 P35354 1/20 0.35
MAPT P10636 1/20 0.34
PIM1 P11309 1/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN11 Q06124 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL5783977 0.88 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL547268 0.82 FTO (0.42) KDM4EARLMNAFTOMAPT
SCHEMBL240495 0.81 AR (0.55) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL29986507 0.80 AR (0.54) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL27777753 0.79 PARP1 (0.40) ALDH1A1ARNPC1RAB9APARP1
SCHEMBL2408313 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2268337 0.76 CYP1A2 (0.41) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL18944032 0.75 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10304851 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL29986181 0.75 AR (0.53) MEN1KMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 MEN1 4832/4885KMT2A 2410/4885ALDH1A1 2299/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 MEN1 4832/4885KMT2A 2410/4885ALDH1A1 2299/4885

“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.