SCHEMBL2701264

SCHEMBL2701264

Nc1n[nH]cc1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 5/20 0.54
KMT2A Q03164 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
L3MBTL1 Q9Y468 5/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.47
RAB9A P51151 3/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL31058787 0.84 ALDH1A1 (0.46) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL9788724 0.79 ALDH1A1 (0.68) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL19557319 0.76 ALDH1A1 (0.52) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL29388715 0.76 ALDH1A1 (0.89) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL50441 0.76 ALDH1A1 (0.89) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL30142131 0.76 POLB (0.69) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL7868326 0.76 POLB (0.69) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL23812437 0.76 ALDH1A1 (0.69) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL445585 0.76 ALDH1A1 (0.71) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL29394630 0.76 ALDH1A1 (0.71) ALDH1A1TDP1KMT2ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3706749-B1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF ANGEX PHARMACEUTICAL INC (US) 2024-03-13 EP disclosed
US-20200385386-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF ANGEX PHARMACEUTICAL, INC. 2020-12-10 US disclosed
EP-3706749-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF Angex Pharmaceutical, Inc. (US) 2020-09-16 EP disclosed
CN-111343987-A Macrocyclic compounds as TRK kinase inhibitors and uses thereof 安杰斯制药公司 2020-06-26 CN disclosed
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
CN-101405275-B Triazolone Derivatives EISAI R&D MAN CO LTD 2011-11-09 CN disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
CN-101405275-A Triazolone Derivatives EISAI R&D MAN CO LTD (JP) 2009-04-08 CN disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-5849779-A Pyrazole derivatives and their pharmaceutical use JAPAN ENERGY CORPORATION (JP) 1998-12-15 US disclosed
EP-0810217-A1 Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors JAPAN ENERGY CORPORATION (JP) 1997-12-03 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 (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-20200385386-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS AND USES THEREOF MAP3K20, PNCK, CDC42BPG ALDH1A1 4711/4885TDP1 1413/4885KMT2A 2625/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885TDP1 1802/4885KMT2A 1639/4885

“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.