SCHEMBL4028940

SCHEMBL4028940

Oc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.69
F2RL3 Q96RI0 1/20 0.62
ALDH1A1 P00352 4/20 0.55
PDE5A O76074 4/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
KDM4E B2RXH2 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 2/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55

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
SCHEMBL3621787 0.89 ALDH1A1 (0.67) ESR1F2RL3ALDH1A1PDE5AHSD17B10
SCHEMBL3082745 0.87 F2RL3 (0.61) ESR1F2RL3ALDH1A1PDE5AHSD17B10
SCHEMBL28982383 0.85 ALDH1A1 (0.71) ESR1F2RL3ALDH1A1PDE5AHSD17B10
SCHEMBL13618343 0.85 F2RL3 (0.66) ESR1F2RL3ALDH1A1PDE5AHSD17B10
SCHEMBL4025361 0.85 ESR1 (0.62) ESR1F2RL3ALDH1A1PDE5ACYP1A2
SCHEMBL4026862 0.85 F2RL3 (0.56) ESR1F2RL3ALDH1A1PDE5AHSD17B10
SCHEMBL4485942 0.85 RORC (0.76) ESR1F2RL3ALDH1A1PDE5AHSD17B10
SCHEMBL4030143 0.84 ESR1 (0.57) ESR1F2RL3ALDH1A1PDE5ACYP1A2
SCHEMBL4029275 0.82 ESR1 (0.56) ESR1F2RL3ALDH1A1PDE5AHSD17B10
SCHEMBL4030038 0.82 ESR1 (1.00) ESR1F2RL3ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 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 (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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885F2RL3 401/4885ALDH1A1 2279/4885

“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.