SCHEMBL4030727

SCHEMBL4030727

COc1ccc(Cc2c3cccc(Cl)c3nn2C2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
HRH3 Q9Y5N1 3/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
ADRA1B P35368 2/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDR P35968 1/20 0.38
ESR1 P03372 2/20 0.38
PDE9A O76083 2/20 0.38
KCNH2 Q12809 2/20 0.37
CHRM2 P08172 1/20 0.37
ABCB1 P08183 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
GABRA1 P14867 1/20 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
SCHEMBL4194778 0.81 ESR1 (0.46) SIGMAR1HRH3ADRA1ATSHRNPSR1
SCHEMBL4034336 0.80 ESR1 (0.47) SIGMAR1HRH3ADRA1AHRH1ADRA1B
SCHEMBL5411401 0.71 ESR1 (0.72) NPSR1ESR1
SCHEMBL4033707 0.70 ESR1 (0.73) TSHRNPSR1ESR1ALDH1A1
SCHEMBL1407427 0.68 ESR1 (0.46) HRH3ADRA1ATSHRNPSR1ESR1
SCHEMBL4030731 0.66 CNR1 (0.41) HRH3TSHRNPSR1ALDH1A1GAA
SCHEMBL4025587 0.65 ESR1 (0.64) HRH3ADRA1ATSHRNPSR1KDR
SCHEMBL4032473 0.65 GPR139 (0.39) NPSR1KDRSLC6A4ALDH1A1HTT
SCHEMBL4026883 0.64 ESR1 (0.44) TSHRNPSR1ESR1ALDH1A1GAA
SCHEMBL4031736 0.63 HTR2A (0.45) KDRHTR2AHTR2CHTR2B

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 SIGMAR1 3591/4885HRH3 299/4885ADRA1A 1362/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 SIGMAR1 3848/4885HRH3 793/4885ADRA1A 990/4885

“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.