SCHEMBL5218239

SCHEMBL5218239

CCc1c(-c2ccc(O)cc2)nn(CC(=O)c2ccc(C#N)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
DEGS1 O15121 1/20 0.38
MMP3 P08254 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL5214311 0.86 RAB9A (0.43) GRIN2BRAB9AKDM4EGMNNUSP2
SCHEMBL5216283 0.85 GAA (0.42) RAB9AKDM4EGMNNUSP2LMNA
SCHEMBL5213386 0.85 MGAM (0.47) GRIN2BRAB9AKDM4EGMNNUSP2
SCHEMBL5218225 0.85 GAA (0.41) GRIN1GRIN2BKDM4EGMNNUSP2
SCHEMBL5214731 0.80 MGAM (0.45) RAB9AKDM4EGMNNUSP2LMNA
SCHEMBL5214814 0.80 ESR1 (0.39) GRIN2BKDM4EGMNNUSP2LMNA
SCHEMBL5215549 0.79 ESR1 (0.46) RAB9AKDM4EGMNNUSP2LMNA
SCHEMBL5218512 0.78 ESR1 (0.45) KDM4EGMNNUSP2LMNAESR1
SCHEMBL5216918 0.77 ESR1 (0.51) KDM4EGMNNUSP2LMNAESR1
SCHEMBL5216045 0.76 MGAM (0.45) RAB9AKDM4EGMNNUSP2LMNA

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 GRIN1 452/4885GRIN2B 881/4885DEGS1 4362/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 GRIN1 452/4885GRIN2B 881/4885DEGS1 4362/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 GRIN1 452/4885GRIN2B 881/4885DEGS1 4362/4885

“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.