SCHEMBL660157

SCHEMBL660157

Cc1ccc(C(=O)CN2C=CCC(c3cc(CSc4ccccc4)n[nH]3)=C2)s1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM5 P41594 1/20 0.31
MEN1 O00255 1/20 0.31
CXCR2 P25025 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
PTPN11 Q06124 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
HTR1A P08908 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
SCHEMBL660037 0.87 NPC1 (0.36) HTTNPSR1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5363423 0.71 ALDH1A1 (0.36) HTTNPSR1RECQLKMT2ASMN1; SMN2
SCHEMBL298106 0.68 RAB9A (0.31) HTTNPSR1MEN1KMT2AALDH1A1
SCHEMBL298638 0.67 LMNA (0.32) RECQLALDH1A1
SCHEMBL298688 0.66 ALDH1A1 (0.38) NPSR1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL660291 0.65 KMT2A (0.38) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7798097 0.63 KMT2A (0.36) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7066427 0.61 HRH2 (0.34) HTTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27871675 0.60 KMT2A (0.33) MEN1KMT2A
SCHEMBL659354 0.60 ALDH1A1 (0.33) HTTNPSR1MEN1KMT2ASMN1; SMN2

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 HTT 75/4885NPSR1 3243/4885GRM5 2559/4885

“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.