SCHEMBL3606313

SCHEMBL3606313

COCCn1nc2ccccc2c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.61
PTGER4 P35408 12/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HCAR3 P49019 1/20 0.47
KDM4C Q9H3R0 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3583917 0.87 MPO (0.59) MPOPTGER4ALDH1A1MEN1GAA
SCHEMBL30615586 0.85 PTGER4 (0.47) MPOPTGER4
SCHEMBL25966964 0.84 ALDH1A1 (0.48) MPOPTGER4ALDH1A1CYP2C9HPGD
SCHEMBL21463921 0.82 PTGER4 (0.43) MPOPTGER4MEN1HPGDKMT2A
SCHEMBL2556362 0.81 PTGER4 (0.49) PTGER4
SCHEMBL3592059 0.80 PTGER4 (0.48) PTGER4ALDH1A1HPGD
SCHEMBL15880124 0.80 ROCK1 (0.48) PTGER4ALDH1A1
SCHEMBL3597804 0.79 MPO (0.56) MPOALDH1A1MEN1GAACYP2D6
SCHEMBL25969261 0.77 PTGER4 (0.46) PTGER4
SCHEMBL17981714 0.76 MPO (0.46) MPOPTGER4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507528-B2 2-alkyl-indazole compounds for the treatment of certain cns-related disorders AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-13 US disclosed
CN-101558057-B 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF 2013-05-01 CN disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP disclosed
US-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-03-04 US disclosed
CN-101558057-A 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF (IT) 2009-10-14 CN disclosed
EP-2099780-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-09-16 EP disclosed
WO-2008061688-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-05-29 WO 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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA MPO 3463/4885PTGER4 3047/4885ALDH1A1 1299/4885

“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.