SCHEMBL6459518

SCHEMBL6459518

CC1(C)CCCN1c1ccc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCOC2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.48
RAB9A P51151 10/20 0.40
NPC1 O15118 9/20 0.40
SMN1; SMN2 Q16637 9/20 0.40
MAPT P10636 8/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
HTT P42858 5/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38
MAPK1 P28482 3/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL4478361 0.84 F10 (0.66) F10
SCHEMBL4465515 0.84 F10 (0.48) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13062210 0.83 F10 (0.53) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13062218 0.83 F10 (0.53) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4467282 0.83 F10 (0.56) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4460990 0.82 F10 (0.50) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4475514 0.82 F10 (0.53) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6462240 0.81 F10 (0.46) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4478043 0.81 F10 (0.52) F10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3425879 0.81 HPGD (0.42) F10RAB9ANPC1SMN1; SMN2MAPT

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-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 F10 1901/4885RAB9A 3277/4885NPC1 1752/4885

“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.