SCHEMBL5215006

SCHEMBL5215006

Oc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
IDO1 P14902 3/20 0.43
TDO2 P48775 3/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
ESR1 P03372 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5219898 0.95 IDO1 (0.46) MAPTIDO1TDO2KDM4ECYP1A2
SCHEMBL5214472 0.89 KDM4E (0.53) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5215559 0.85 NPSR1 (0.53) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5221501 0.85 KMT2A (0.49) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5218720 0.84 ESR1 (0.47) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5214926 0.83 ESR1 (0.55) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5214655 0.82 SRC (0.50) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5217273 0.81 ESR1 (0.47) MAPTIDO1TDO2KDM4ECYP1A2
SCHEMBL5215998 0.80 KMT2A (0.51) MAPTKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL5214875 0.80 KDM4E (0.57) MAPTIDO1TDO2KDM4ECYP1A2

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 MAPT 1269/4885IDO1 4278/4885TDO2 4641/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 MAPT 1269/4885IDO1 4278/4885TDO2 4641/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 MAPT 1269/4885IDO1 4278/4885TDO2 4641/4885

“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.