SCHEMBL4465739

SCHEMBL4465739

O=C(NC1(C(=O)Nc2ccc(N3CCOCCC3=O)c(C(F)(F)F)c2)CCOC1)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.47
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
NFKB1 P19838 3/20 0.36
RAB9A P51151 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP2C9 P11712 1/20 0.36
BRAF P15056 1/20 0.35

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
SCHEMBL4463916 0.93 F10 (0.54) F10
SCHEMBL4473484 0.92 F10 (0.48) F10HTTSMN1; SMN2TP53MAPT
SCHEMBL4460997 0.92 F10 (0.48) F10HTTSMN1; SMN2TP53MAPT
SCHEMBL4465281 0.91 F10 (0.45) F10HTTSMN1; SMN2TP53MAPT
SCHEMBL4466756 0.91 F10 (0.46) F10HTTSMN1; SMN2TP53MAPT
SCHEMBL3778883 0.89 F10 (0.47) F10HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4467282 0.89 F10 (0.56) F10HTTSMN1; SMN2TP53MAPT
SCHEMBL4463686 0.89 F10 (0.47) F10HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3779946 0.89 F10 (0.47) F10HTTSMN1; SMN2MEN1KMT2A
SCHEMBL5503849 0.89 F10 (0.40) F10SMN1; SMN2TP53MAPTTHRB

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 F10 2132/4885HTT 2031/4885SMN1; SMN2 1529/4885

“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.