SCHEMBL1024018

SCHEMBL1024018

Cc1cc2c(I)nn(C3CCCCO3)c2cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RET P07949 7/20 0.37
ATAD2 Q6PL18 1/20 0.36
PIK3CA P42336 1/20 0.34
ATR Q13535 1/20 0.34
HSD17B10 Q99714 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE4D Q08499 2/20 0.31
PDE1C Q14123 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL5616695 0.95 GAA (0.42) GAACYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL1026714 0.88 GAA (0.47) GAACYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL1025883 0.83 GAA (0.38) GAACYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL31327349 0.83 CYP4F2 (0.42) GAACYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL24968874 0.82 GAA (0.47) GAACYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL1026761 0.81 KMT2A (0.36) GAACYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL5593628 0.80 IP6K1 (0.36) GAAALDH1A1LMNAPOLBRET
SCHEMBL29388171 0.80 ALDH1A1 (0.39) GAACYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL16125888 0.80 CYP4F2 (0.39) GAACYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL14863556 0.80 ALDH1A1 (0.39) GAACYP4F2CYP4A11ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 541/4885CYP4F2 4536/4885CYP4A11 3142/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 GAA 1870/4885CYP4F2 997/4885CYP4A11 1045/4885

“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.