SCHEMBL4492330

SCHEMBL4492330

O=C(c1ccc(OCc2ccccc2)cc1)c1nn(C2CCCC2)c2c(C(F)(F)F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.46
NR1H3 Q13133 4/20 0.46
SRD5A2 P31213 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
CMKLR1 Q99788 2/20 0.40
HTR3A P46098 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NR4A2 P43354 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL4478391 0.85 ESR1 (0.47) HTR3AKDM4EKMT2ASMN1; SMN2
SCHEMBL4484338 0.81 NR1H2 (0.50) NR1H2NR1H3SRD5A2NR4A2CYP19A1
SCHEMBL4482274 0.78 ALDH1A1 (0.46) KDM4EKMT2ARAB9A
SCHEMBL4492238 0.73 NR1H2 (0.52) NR1H2NR1H3SRD5A2NR4A2SMN1; SMN2
SCHEMBL1131947 0.67 CNR1 (0.43) CMKLR1HTR3ANR4A2KDM4EKMT2A
SCHEMBL1131696 0.67 KDM4E (0.43) CMKLR1NR4A2KDM4EKMT2ASMN1; SMN2
SCHEMBL6112274 0.66 ESR1 (0.39) CYP3A4CYP2D6KDM4E
SCHEMBL3232949 0.66 SRD5A2 (0.90) SRD5A2NR4A2KMT2ASMN1; SMN2RAB9A
SCHEMBL7764407 0.65 NR4A2 (0.68) SRD5A2NR4A2SMN1; SMN2RAB9ANR4A1
SCHEMBL1132134 0.64 MDM2 (0.63) CMKLR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US disclosed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 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 (1 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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS NR1H2 572/4885NR1H3 606/4885SRD5A2 432/4885

“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.