SCHEMBL2163477

SCHEMBL2163477

O=C(O)c1ccc(/C=N\O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
ALDH1A1 P00352 3/20 0.58
CA2 P00918 3/20 0.56
CA1 P00915 2/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
GLA P06280 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 3/20 0.50
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50

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
SCHEMBL2163478 1.00 KMT2A (1.00) KMT2AALDH1A1CA2CA1TP53
SCHEMBL2229059 1.00 KMT2A (1.00) KMT2AALDH1A1CA2CA1TP53
SCHEMBL19757214 0.84 KMT2A (0.72) KMT2AALDH1A1CA2CA1TP53
SCHEMBL8224874 0.80 KMT2A (0.67) KMT2AALDH1A1CA2CA1TSHR
SCHEMBL740549 0.80 KMT2A (0.67) KMT2AALDH1A1CA2CA1TSHR
SCHEMBL6847518 0.80 KMT2A (0.67) KMT2AALDH1A1CA2CA1TP53
SCHEMBL17273591 0.80 KMT2A (0.67) KMT2AALDH1A1CA2CA1TP53
SCHEMBL20787422 0.80 KMT2A (0.67) KMT2AALDH1A1CA2CA1TP53
SCHEMBL27198359 0.80 KMT2A (0.64) KMT2AALDH1A1MAPTRAB9AKDM4E
SCHEMBL4275683 0.80 KMT2A (0.64) KMT2AALDH1A1MAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57053440-A None JP disclosed
JP-57053441-A None JP disclosed
CN-114539180-A Isoxazoline-containing bisamide compound and preparation method and application thereof 贵州大学 2022-05-27 CN disclosed
EP-2524909-B1 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID NAF CO LTD (KR) 2015-03-18 EP disclosed
US-8907127-B2 Preparation method of 4-aminomethylbenzoic acid NAF CO LTD (KR) 2014-12-09 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-20120296114-A1 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID SK PETROCHEMICAL CO., LTD. (KR) 2012-11-22 US disclosed
EP-2524909-A2 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID NAF Co., Ltd. (KR) 2012-11-21 EP disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
EP-0826660-B1 Non-hygroscopic crystals of p-aminomethylbenzoic acid and process for preparing the same SHOWA DENKO KK (JP) 2002-04-03 EP disclosed
US-5777158-A Non-hygroscopic crystals of p-aminomethylbenzoic acid and process for preparing the same SHOWA DENKO K.K. (JP) 1998-07-07 US disclosed
EP-0826660-A1 Non-hygroscopic crystals of p-aminomethylbenzoic acid and process for preparing the same SHOWA DENKO KABUSHIKI KAISHA (JP) 1998-03-04 EP disclosed
JP-S5753441-A PREPARATION OF 4-AMINOMETHYLBENZOIC ACID KUREHA CHEM IND CO LTD 1982-03-30 JP disclosed
JP-S5753440-A PREPARATION OF 4-AMINOMETHYLCYCLOHEXANECARBOXYLIC ACID AND ITS MINERAL ACID SALT KUREHA CHEM IND CO LTD 1982-03-30 JP 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 (2 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 KMT2A 3222/4885ALDH1A1 1374/4885CA2 1981/4885
US-20120296114-A1 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID HAAO, ALKBH3, HAO2 KMT2A 176/4885ALDH1A1 508/4885CA2 384/4885

“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.