SCHEMBL6461795

SCHEMBL6461795

CC(=O)N1CCCN(c2ccc(NC(=O)C3(NC(=O)c4ccc(Br)s4)CCCC3)cc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 3/20 0.40
TP53 P04637 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PAX8 Q06710 1/20 0.38
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NFKB1 P19838 3/20 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
SCHEMBL5567868 0.87 FAAH (0.43) MAPTALDH1A1LMNAPOLBPKM
SCHEMBL6457967 0.81 NPC1 (0.46) CTSLCTSBCTSSMAPTALDH1A1
SCHEMBL3427317 0.81 F10 (0.51) CTSLCTSBCTSSMAPTLMNA
SCHEMBL4460045 0.80 CTSL (0.47) CTSLCTSBCTSSMAPTLMNA
SCHEMBL3426268 0.80 CTSS (0.51) CTSLCTSBCTSSMAPTLMNA
SCHEMBL6454142 0.79 CTSL (0.48) CTSLCTSBCTSSMAPTALDH1A1
SCHEMBL4477731 0.79 F10 (0.54) F10
SCHEMBL3426110 0.79 F10 (0.51) CTSLCTSBCTSSMAPTLMNA
SCHEMBL4456106 0.79 CTSL (0.46) CTSLCTSBCTSSMAPTLMNA
SCHEMBL4459451 0.79 CTSL (0.46) CTSLCTSBCTSSMAPTLMNA

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 CTSL 1657/4885CTSB 2371/4885CTSS 1724/4885

“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.