SCHEMBL4459676

SCHEMBL4459676

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 6/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47

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
SCHEMBL4467318 0.96 MAPT (0.55) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL2070181 0.86 ALDH1A1 (0.65) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL2070549 0.84 MAPT (0.70) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL29106604 0.81 MAPT (0.66) MAPTALDH1A1NPC1POLBHTT
SCHEMBL31261387 0.81 MAPT (0.59) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL30168150 0.80 ALDH1A1 (0.67) MAPTALDH1A1POLBHTTL3MBTL1
SCHEMBL10674588 0.80 ALDH1A1 (0.67) MAPTALDH1A1POLBHTTL3MBTL1
SCHEMBL16730282 0.80 MAPT (0.65) MAPTALDH1A1NPC1POLBHTT
SCHEMBL4472308 0.79 MAPT (0.56) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL9524409 0.78 NPC1 (0.64) MAPTALDH1A1NPC1RAB9APOLB

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 341/4885ALDH1A1 910/4885NPC1 2769/4885

“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.