SCHEMBL5217286

SCHEMBL5217286

Oc1ccc(-c2nn(-c3ccc(F)cc3F)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ESR2 Q92731 4/20 0.41
ESR1 P03372 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
PTGER1 P34995 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
FABP4 P15090 2/20 0.36
DHODH Q02127 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
SCHEMBL5214561 0.95 NPC1 (0.42) NPC1RAB9AESR2ESR1TDP1
SCHEMBL5213049 0.87 KMT2A (0.44) ESR2ESR1TDP1MEN1KMT2A
SCHEMBL5213173 0.85 CA1 (0.42) NPC1RAB9AESR2ESR1TDP1
SCHEMBL5218326 0.84 KMT2A (0.39) ESR2ESR1TDP1MEN1KMT2A
SCHEMBL5214655 0.82 SRC (0.50) ESR2ESR1TDP1MEN1KMT2A
SCHEMBL5217273 0.81 ESR1 (0.47) ESR2ESR1TDP1MEN1KMT2A
SCHEMBL5214887 0.80 ESR1 (0.39) ESR2ESR1TDP1KMT2ASRC
SCHEMBL5215604 0.79 LMNA (0.50) NPC1RAB9AESR1KMT2ALMNA
SCHEMBL5216012 0.78 CA1 (0.43) ESR2ESR1TDP1MEN1KMT2A
SCHEMBL5217431 0.78 CNR1 (0.49)

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 NPC1 954/4885RAB9A 2665/4885ESR2 2/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 NPC1 954/4885RAB9A 2665/4885ESR2 2/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 NPC1 954/4885RAB9A 2665/4885ESR2 2/4885

“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.