SCHEMBL4247349

SCHEMBL4247349

Cc1c(F)c(C(=O)Nc2cccc(F)c2)c(F)c(F)c1N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4251078 0.91 ALDH1A1 (0.51) TSHRPOLBSMN1; SMN2MAPTRAB9A
SCHEMBL4251152 0.89 LMNA (0.52) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4247717 0.89 SMN1; SMN2 (0.47) TSHRSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL4253898 0.87 SMN1; SMN2 (0.44) TSHRSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL4247922 0.86 KMT2A (0.45) TSHRPOLBSMN1; SMN2MAPTRAB9A
SCHEMBL4252054 0.85 HPGD (0.49) TSHRPOLBSMN1; SMN2MAPTNPC1
SCHEMBL4255454 0.84 TAAR1 (0.55) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4255336 0.82 EPHX2 (0.44) POLBSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4254104 0.72 KDM4E (0.47) TSHRPOLBSMN1; SMN2MAPTTP53
SCHEMBL4252127 0.72 KDM4E (0.47) TSHRPOLBSMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TSHR 289/4885POLB 4586/4885SMN1; SMN2 155/4885

“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.

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