SCHEMBL3633058

SCHEMBL3633058

CCOC(=O)c1ccc(NC(C)=O)c(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 4/20 0.51
POLB P06746 2/20 0.51
STAT1 P42224 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
PTGER4 P35408 2/20 0.47
ESR1 P03372 2/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL12848306 0.88 CYP1A2 (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5682954 0.85 KMT2A (0.67) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9995279 0.84 ALDH1A1 (0.62) KMT2ASMN1; SMN2ALDH1A1KDM4ECA1
SCHEMBL31375393 0.84 KMT2A (0.65) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29097191 0.84 KMT2A (0.65) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28475471 0.83 RAB9A (0.49) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5682853 0.83 KMT2A (0.61) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1008601 0.82 MAPT (0.48) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1261218 0.82 KMT2A (0.64) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21722983 0.82 KMT2A (0.64) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 KMT2A 2669/4885SMN1; SMN2 3036/4885NPC1 1425/4885

“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.