SCHEMBL1027704

SCHEMBL1027704

Cc1cc2cnn(C3CCCCO3)c2cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
GAA P10253 1/20 0.41
RET P07949 5/20 0.38
ATR Q13535 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RGS12 O14924 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PDE8B O95263 1/20 0.33

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
SCHEMBL1028434 0.95 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL31162721 0.95 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL20437973 0.87 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL25648717 0.85 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL21243909 0.85 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL29860235 0.85 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL20437571 0.85 RXRA (0.51) RXRARXRBRXRGALDH1A1POLB
SCHEMBL22655786 0.85 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL21796464 0.82 RXRA (0.47) RXRARXRBRXRGALDH1A1POLB
SCHEMBL21796688 0.82 RXRA (0.47) RXRARXRBRXRGALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024158872-A1 1,3-INDOLE-PROPANAMIDE INHIBITORS OF SARS-COV-2 PLPRO/NSP3 AND DERIVATIVES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2024-08-02 WO disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 RXRA 3569/4885RXRB 3538/4885RXRG 2849/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 RXRA 4361/4885RXRB 4014/4885RXRG 4339/4885

“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.