SCHEMBL5113575

SCHEMBL5113575

CC(C)c1nc(CCCO)c(Cc2ccc(Cl)cc2Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ COPS5 Q92905 1/20 0.37
▸ TLR8 Q9NR97 3/20 0.36
▸ POLB P06746 1/20 0.35
▸ GRM4 Q14833 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL5121201 0.80 CYP3A4 (0.39) SMN1; SMN2HTTCOPS5POLBMEN1
SCHEMBL28227559 0.72 COPS5 (0.49) SMN1; SMN2HTTALDH1A1COPS5LMNA
SCHEMBL5112558 0.72 TBXA2R (0.49) SMN1; SMN2HTTALDH1A1COPS5GRM4
SCHEMBL5111999 0.72 MAPT (0.45) ALDH1A1COPS5LMNACYP3A4CYP2C9
SCHEMBL585759 0.69 IDO1 (0.52) HTTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5108762 0.65 PPARG (0.57) POLB
SCHEMBL1802629 0.64 ACLY (0.50) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5113087 0.64 TLR8 (0.42) SMN1; SMN2HTTALDH1A1TLR8POLB
SCHEMBL9152124 0.63 ACLY (0.52) CYP3A4CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL9157017 0.63 ACLY (0.52) CYP3A4CYP1A2CYP2C9CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 — — US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 — — 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 SMN1; SMN2 3876/4885HTT 3977/4885ALDH1A1 1527/4885

“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.

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