SCHEMBL4026075

SCHEMBL4026075

COc1ccc(Cc2nn(C(C)C)c3c(F)cccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
LTA4H P09960 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK1 P06493 2/20 0.37
IGF1R P08069 2/20 0.37
FGFR1 P11362 2/20 0.37

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
SCHEMBL4033226 0.80 ADRA1A (0.45) KDRMAPTALDH1A1LMNAHTT
SCHEMBL5397335 0.79 ESR1 (0.51) KDRMAPTALDH1A1LMNAHTT
SCHEMBL4032473 0.78 GPR139 (0.39) KDRMAPTALDH1A1LMNAHTT
SCHEMBL4030110 0.71 ESR1 (0.43) KDRMAPTALDH1A1LMNAHTT
SCHEMBL4029667 0.71 ESR1 (0.53) KDR
SCHEMBL31140840 0.68 ESR1 (0.38) ALDH1A1LMNASMN1; SMN2
SCHEMBL18212231 0.68 ESR1 (0.41) ALDH1A1LMNASMN1; SMN2
SCHEMBL4201255 0.68 HTR2A (0.45) KDRMAPTALDH1A1L3MBTL1TP53
SCHEMBL16797163 0.68 CNR1 (0.45) MAPTALDH1A1SLC5A1SLC5A2SMN1; SMN2
SCHEMBL4032685 0.66 EGFR (0.52) KDRMAPTALDH1A1LMNANPSR1

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 4 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
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR KDR 1504/4885MAPT 4276/4885ALDH1A1 2279/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 KDR 1504/4885MAPT 4325/4885ALDH1A1 1965/4885

“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.