SCHEMBL4866899

SCHEMBL4866899

NC(=O)c1ccccc1NCCO

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
GLA P06280 1/20 0.65
AGTR1 P30556 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
SIRT1 Q96EB6 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SIRT2 Q8IXJ6 4/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCAT2 O15382 1/20 0.44

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
SCHEMBL17315235 0.85 AGTR1 (0.53) KDM4EGLAAGTR1MEN1KMT2A
SCHEMBL5392212 0.84 KDM4E (0.58) KDM4EGLAAGTR1MEN1KMT2A
SCHEMBL8602088 0.84 AGTR1 (0.55) KDM4EGLAAGTR1MEN1KMT2A
SCHEMBL9279236 0.83 ALDH1A1 (0.71) KDM4EGLAAGTR1KMT2AALDH1A1
SCHEMBL8943473 0.82 AGTR1 (0.57) KDM4EAGTR1MEN1KMT2AALDH1A1
SCHEMBL21501690 0.81 KDM4E (0.56) KDM4EGLAKMT2AALDH1A1HPGD
SCHEMBL8691774 0.81 AGTR1 (0.52) KDM4EGLAAGTR1MEN1KMT2A
SCHEMBL21532107 0.81 AGTR1 (0.49) KDM4EGLAAGTR1MEN1KMT2A
SCHEMBL5387032 0.81 SIRT2 (0.63) KDM4EAGTR1MEN1KMT2AALDH1A1
SCHEMBL14577687 0.81 TSHR (0.53) KDM4EGLAAGTR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP disclosed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 WO disclosed
US-20080229520-A1 Hair Colorants with Indigoid Vat Dyes WELLA AG (DE) 2008-09-25 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 KDM4E 4108/4885GLA 2469/4885AGTR1 739/4885

“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.