SCHEMBL10187754

SCHEMBL10187754

O=CCN(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 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
SCHEMBL5132433 0.82 ALDH1A1 (0.48) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL14830960 0.81 CYP3A4 (0.45) NPC1RAB9AALDH1A1MAPT
SCHEMBL250872 0.77 ALDH1A1 (0.52) KMT2AALDH1A1MEN1USP2POLB
SCHEMBL1242387 0.76 NPC1 (0.40) KMT2ANPC1RAB9AHDAC6CHRM2
SCHEMBL5907003 0.74 ALDH1A1 (0.54) NPC1RAB9ACHRM2CHRM1CHRM3
SCHEMBL5218475 0.74 TP53 (0.43) KMT2ANPC1RAB9AHDAC3HDAC1
SCHEMBL2036347 0.72 CHRM2 (0.37) CHRM2CHRM3ALDH1A1
SCHEMBL27875351 0.72 HPGD (0.41) NPC1RAB9AALDH1A1USP2POLB
SCHEMBL6825235 0.71 MEN1 (0.39) KMT2ANPC1RAB9AHDAC3HDAC4
SCHEMBL9985198 0.71 HCAR2 (0.36) CHRM2CHRM1CHRM3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234552-A2 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2023-08-30 EP disclosed
WO-2012123298-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120230951-A1 ANTIVIRAL COMPOUNDS ALAM MUZAFFAR (US) 2012-09-13 US disclosed
EP-2473056-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2012-07-11 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-20120230951-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KMT2A 4398/4885NPC1 76/4885RAB9A 2042/4885

“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.