SCHEMBL2500734

SCHEMBL2500734

COC(=O)c1cccc2c1cnn2C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.53
NR4A2 P43354 3/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR1 P32246 1/20 0.41
BRD4 O60885 1/20 0.41
PSMD14 O00487 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL31719162 1.00 CYP11B2 (0.53) CYP11B2NR4A2CYP1A2CYP2C19MAPT
SCHEMBL8122485 0.83 CYP11B2 (0.52) CYP11B2NR4A2CYP1A2CYP2C19MAPT
SCHEMBL12193505 0.82 NR4A1 (0.43) NR4A2KDRKDM4ELMNAALDH1A1
SCHEMBL20511783 0.82 KDR (0.42) KDRKDM4ELMNAALDH1A1
SCHEMBL31130149 0.82 KDR (0.42) KDRKDM4ELMNAALDH1A1
SCHEMBL15997886 0.81 CYP11B2 (0.48) CYP11B2NR4A2MAPTKMT2AMEN1
SCHEMBL15987446 0.81 CYP11B2 (0.48) CYP11B2NR4A2MAPTKMT2AMEN1
SCHEMBL15999042 0.81 CYP11B2 (0.50) CYP11B2NR4A2MAPTKMT2AMEN1
SCHEMBL15687571 0.81 CYP11B2 (0.56) CYP11B2NR4A2MAPTKMT2AMEN1
SCHEMBL305700 0.81 CYP11B2 (0.50) CYP11B2NR4A2CYP1A2CYP2C19MAPT

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-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 WO disclosed
WO-2020011246-A1 BENZENE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 广州丹康医药生物有限公司 2020-01-16 WO disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 CYP11B2 1171/4885NR4A2 147/4885CYP1A2 3595/4885

“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.