SCHEMBL4472308

SCHEMBL4472308

Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
HTT P42858 5/20 0.56
ALDH1A1 P00352 5/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48

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
SCHEMBL29106604 0.82 MAPT (0.66) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL17979913 0.82 KMT2A (0.56) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL10674588 0.81 ALDH1A1 (0.67) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL30168150 0.81 ALDH1A1 (0.67) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL16730282 0.81 MAPT (0.65) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL4459676 0.79 MAPT (0.56) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL5309313 0.79 HTT (0.64) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL4467318 0.78 MAPT (0.55) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL16709593 0.77 MEN1 (0.55) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL3271853 0.76 ALDH1A1 (0.68) MAPTHTTALDH1A1LMNAMEN1

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-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC MAPT 341/4885HTT 2031/4885ALDH1A1 910/4885

“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.