SCHEMBL661852

SCHEMBL661852

Cc1cc(C)n(Cc2cc(C3=CN(CC(=O)c4cccs4)C=CC3)n(-c3ccccn3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 3/20 0.33
OPRM1 P35372 1/20 0.32
POLB P06746 2/20 0.32
CACNA2D1 P54289 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC16A3 O15427 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NTRK1 P04629 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
SCHEMBL27871720 0.85 MAPT (0.33) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL287148 0.81 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL297985 0.77 MAPT (0.35) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL661279 0.76 HPGD (0.37) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL298742 0.73 CACNA2D1 (0.35) CTNNB1ALDH1A1KDM4EMAPTMEN1
SCHEMBL287222 0.73 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HPGDTSHR
SCHEMBL287276 0.69 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL7808911 0.66 ALDH1A1 (0.48) CTNNB1ALDH1A1KDM4EMAPTMEN1
SCHEMBL661658 0.66 GRM5 (0.38) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL287279 0.64 GRM5 (0.39) ALDH1A1KDM4EMAPTLMNAKMT2A

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 CTNNB1 3236/4885ALDH1A1 676/4885KDM4E 2916/4885

“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.