SCHEMBL2070575

SCHEMBL2070575

COC(c1sc(-c2ccc(Cl)cc2)nc1C)C1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.41
CHEK1 O14757 1/20 0.39
SLC6A2 P23975 7/20 0.38
SLC6A3 Q01959 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2070132 0.80 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3SMN1; SMN2RAB9A
SCHEMBL2069658 0.77 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL2069078 0.73 CNR1 (0.43)
SCHEMBL2069794 0.73 PPARA (0.41) KCNH2
SCHEMBL2069069 0.72 PPARA (0.46) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL2069539 0.72 PPARA (0.46) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL2069858 0.71 PPARA (0.52) CHEK1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2069857 0.71 PPARA (0.52) CHEK1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2070322 0.71 PPARA (0.45) MAPT
SCHEMBL2069137 0.70 PPARA (0.66)

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
CN-101189231-B Novel cyclic aminophenylalkanoic acid derivative KYORIN SEIYAKU KK 2011-05-18 CN disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
CN-101189231-A Novel cyclic aminophenylalkanoic acid derivative KYORIN SEIYAKU KK (JP) 2008-05-28 CN disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
CN-101014595-A Novel cyclic aminobenzoic acid derivative KYORIN SEIYAKU KK (JP) 2007-08-08 CN 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-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative PPARA, PPARD, PPARG SLC6A4 1503/4885CHEK1 4309/4885SLC6A2 2830/4885
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD SLC6A4 1813/4885CHEK1 3290/4885SLC6A2 2893/4885

“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.