SCHEMBL7687241

SCHEMBL7687241

CC(=O)c1ccc(NC(=O)CBr)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPK1 P28482 1/20 0.58
RAB9A P51151 5/20 0.55
TAAR1 Q96RJ0 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
BLM P54132 1/20 0.54
HTT P42858 2/20 0.53
NLRP1 Q9C000 1/20 0.53
ATM Q13315 1/20 0.53
GAA P10253 1/20 0.51
MCL1 Q07820 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL15267699 0.85 KMT2A (0.60) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL11638641 0.84 SMN1; SMN2 (0.59) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL925339 0.82 MAPT (0.64) MAPTALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL31570085 0.82 MAPT (0.64) MAPTALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL7363709 0.82 ALDH1A1 (0.66) MAPTALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL3911049 0.82 CA12 (0.54) ALDH1A1RAB9AMEN1KMT2APOLB
SCHEMBL14000503 0.81 GPR55 (0.56) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL1245786 0.81 MEN1 (0.77) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL10780544 0.81 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL17475956 0.81 MAPT (0.62) MAPTALDH1A1NPC1SMN1; SMN2MAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180783-B2 Method for producing chiral amines VITO NV (BE) 2021-11-23 US claimed
EP-3676387-B1 METHOD FOR PRODUCING CHIRAL AMINES VITO NV (BE) 2021-09-29 EP claimed
US-20210062233-A1 METHOD FOR PRODUCING CHIRAL AMINES VITO NV (BE) 2021-03-04 US claimed
EP-3676387-A1 METHOD FOR PRODUCING CHIRAL AMINES Vito NV (BE) 2020-07-08 EP claimed
WO-2019043186-A1 METHOD FOR PRODUCING CHIRAL AMINES VITO NV (BE) 2019-03-07 WO claimed
US-11180783-B2 Method for producing chiral amines VITO NV (BE) 2021-11-23 US disclosed
EP-3676387-B1 METHOD FOR PRODUCING CHIRAL AMINES VITO NV (BE) 2021-09-29 EP disclosed
US-20210062233-A1 METHOD FOR PRODUCING CHIRAL AMINES VITO NV (BE) 2021-03-04 US disclosed
EP-3676387-A1 METHOD FOR PRODUCING CHIRAL AMINES Vito NV (BE) 2020-07-08 EP disclosed
WO-2019043186-A1 METHOD FOR PRODUCING CHIRAL AMINES VITO NV (BE) 2019-03-07 WO disclosed
US-20160074373-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS THE UNIVERSITY OF CHICAGO (US) 2016-03-17 US disclosed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO 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-20160074373-A1 METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS CLINT1, QSOX1, ACOX1 MAPT 3330/4885ALDH1A1 725/4885NPC1 72/4885

“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.