SCHEMBL4034560

SCHEMBL4034560

C=CCn1nc2c(C)cccc2c1-c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
MAPT P10636 7/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
GAA P10253 1/20 0.44
GRIK2 Q13002 1/20 0.41
GFER P55789 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RECQL P46063 1/20 0.37
GPR139 Q6DWJ6 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
SCHEMBL4027876 0.85 NR1H2 (0.54) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4029516 0.82 TNKS (0.46) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4025766 0.80 MPO (0.47) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4032536 0.78 ESR1 (0.50) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4027756 0.75 PDE4B (0.40) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4027168 0.74 HTR2A (0.46) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6203239 0.74 ALDH1A1 (0.42) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4026814 0.71 CYP1A1 (0.39) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4034521 0.70 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1407773 0.69 ESR1 (0.45) TSHRNR1H2NR1H3

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
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
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 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 (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 KDM4E 339/4885MAPT 4276/4885ALDH1A1 2279/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 KDM4E 408/4885MAPT 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.