SCHEMBL6454161

SCHEMBL6454161

CN1CCOCCN1c1ccc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCOC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 7/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
F10 P00742 3/20 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
SCHEMBL5567162 0.86 FAAH (0.36) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6461396 0.82 F10 (0.42) HTTMEN1KMT2AMAPTNPC1
SCHEMBL6454489 0.80 CTSL (0.39) HTTMEN1KMT2AL3MBTL1MAPT
SCHEMBL13012470 0.80 F10 (0.51) HTTMEN1KMT2ACTSLCTSB
SCHEMBL13012471 0.80 F10 (0.51) HTTMEN1KMT2ACTSLCTSB
SCHEMBL3773203 0.79 KMT2A (0.52) HTTMEN1KMT2AL3MBTL1MAPT
SCHEMBL2572583 0.79 KMT2A (0.52) HTTMEN1KMT2AL3MBTL1MAPT
SCHEMBL3774479 0.79 KMT2A (0.52) HTTMEN1KMT2AL3MBTL1MAPT
SCHEMBL3769227 0.79 HPGD (0.46) HTTMEN1KMT2AMAPTCTSL
SCHEMBL3427193 0.79 HPGD (0.46) HTTMEN1KMT2AMAPTCTSL

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 HTT 3554/4885MEN1 2340/4885KMT2A 2674/4885

“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.