SCHEMBL661279

SCHEMBL661279

Cc1cc(C)n(Cc2cc(C3=CN(CC(=O)c4cccs4)C=CC3)n[nH]2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 7/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL298106 0.87 RAB9A (0.31) MAPTALDH1A1HSD17B10POLBRAB9A
SCHEMBL27855099 0.83 HPGD (0.34) HPGDALDH1A1TP53HSD17B10
SCHEMBL297985 0.81 MAPT (0.35) HPGDMAPTALDH1A1TP53HSD17B10
SCHEMBL298661 0.80 KMT2A (0.37) MAPTALDH1A1KDM4EPOLBRAB9A
SCHEMBL660685 0.79 ALDH1A1 (0.40) HPGDMAPTALDH1A1TP53KDM4E
SCHEMBL661076 0.77 ALDH1A1 (0.33) MAPTALDH1A1KDM4EMAPK1HTT
SCHEMBL287148 0.76 ALDH1A1 (0.33) HPGDMAPTALDH1A1HSD17B10KDM4E
SCHEMBL661852 0.76 CTNNB1 (0.34) HPGDMAPTALDH1A1HSD17B10KDM4E
SCHEMBL27854984 0.74 MAPT (0.34) MAPTALDH1A1KDM4ERAB9ALMNA
SCHEMBL297726 0.73 MAPT (0.38) MAPTALDH1A1TP53KDM4EPOLB

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT HPGD 202/4885MAPT 61/4885ALDH1A1 676/4885

“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.