SCHEMBL5213849

SCHEMBL5213849

Cc1c(-c2cccc(O)c2)nn(-c2ccccc2)c1-c1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
PTGER1 P34995 4/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
CA2 P00918 1/20 0.41
OPRD1 P41143 4/20 0.41
DHODH Q02127 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRM1 P35372 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL5222445 0.91 ESR1 (0.46) KMT2ACYP1A2CYP2C19CYP2C9PTGER1
SCHEMBL11978719 0.81 PTGER1 (0.55) MEN1KMT2ACYP1A2CYP2C19CYP2C9
Acetic Acid SCHEMBL11543434 0.78 PTGER1 (0.59) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL28299664 0.77 CYP1A2 (0.54) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL23399404 0.75 ALDH1A1 (0.52) MEN1KMT2AGAANPC1RAB9A
SCHEMBL23402377 0.75 ALDH1A1 (0.52) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL23399774 0.74 NPC1 (0.51) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL13788756 0.74 PTGER1 (0.51) MEN1KMT2ACYP1A2CYP2C19CYP2C9
SCHEMBL1548516 0.74 PTGER1 (0.81) CYP1A2CYP2C19CYP2C9PTGER1
SCHEMBL19192578 0.74 NPC1 (0.73) CYP1A2CYP2C19CYP2C9NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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 (3 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 MEN1 1841/4885KMT2A 2791/4885CYP1A2 841/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 MEN1 1841/4885KMT2A 2791/4885CYP1A2 841/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 MEN1 1841/4885KMT2A 2791/4885CYP1A2 841/4885

“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.