SCHEMBL18817929

SCHEMBL18817929

C/C(=N\c1ccc(C#N)cc1)c1cc(Br)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.49
▸ NOS3 P29474 2/20 0.49
▸ CCR5 P51681 2/20 0.43
▸ PLAU P00749 1/20 0.41
▸ CES2 O00748 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GSTA1 P08263 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL18817930 1.00 NOS1 (0.49) NOS1NOS3CCR5PLAUCES2
SCHEMBL18845626 0.82 MAOA (0.48) NOS1PLAUCES2GALR3CYP1A2
SCHEMBL18817925 0.81 LMNA (0.50) NOS1CCR5PLAUCES2GALR3
SCHEMBL18817922 0.81 LMNA (0.50) NOS1CCR5PLAUCES2GALR3
SCHEMBL18817903 0.81 MAPT (0.47) NOS1NOS3PLAUCES2GALR3
SCHEMBL18817901 0.81 MAPT (0.47) NOS1NOS3PLAUCES2GALR3
SCHEMBL18817935 0.80 GSTA1 (0.47) NOS1NOS3PLAUCES2GALR3
SCHEMBL18817938 0.80 GSTA1 (0.47) NOS1NOS3PLAUCES2GALR3
SCHEMBL18817947 0.77 TMPRSS4 (0.46) NOS1NOS3PLAUCES2GALR3
SCHEMBL18817944 0.77 TMPRSS4 (0.46) NOS1NOS3PLAUCES2GALR3

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-10155753-B2 4-substituted-2-(5-substituted-1H-indol-2-yl)phenol derivatives, methods for preparing the phenol derivatives and pharmaceutical compositions for inhibiting cell proliferation and migration including the phenol derivatives KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2018-12-18 — — US disclosed
US-20170129879-A1 4-SUBSTITUTED-2-(5-SUBSTITUTED-1H-INDOL-2-YL)PHENOL DERIVATIVES, METHODS FOR PREPARING THE PHENOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION AND MIGRATION INCLUDING THE PHENOL DERIVATIVES KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2017-05-11 — — US 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-10155753-B2 4-substituted-2-(5-substituted-1H-indol-2-yl)phenol derivatives, methods for preparing the phenol derivatives and pharmaceutical compositions for inhibiting cell proliferation and migration including the phenol derivatives MKI67, CCNI, CDK4 NOS1 811/4885NOS3 198/4885CCR5 217/4885
US-20170129879-A1 4-SUBSTITUTED-2-(5-SUBSTITUTED-1H-INDOL-2-YL)PHENOL DERIVATIVES, METHODS FOR PREPARING THE PHENOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION AND MIGRATION INCLUDING THE PHENOL DERIVATIVES MKI67, CCNI, CDK4 NOS1 811/4885NOS3 198/4885CCR5 217/4885

“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.

Send feedback