SCHEMBL1462695

SCHEMBL1462695

Cn1c(-c2ccc(Br)cc2)nc2cc(O)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
ESR2 Q92731 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPRS1 P07814 1/20 0.40
AKR1B1 P15121 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
SCHEMBL1462891 0.86 ESR1 (0.58) ESR1ALDH1A1GAALMNAMEN1
SCHEMBL1463880 0.82 KCNH2 (0.60) ALDH1A1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL19359658 0.78 ESR1 (0.54) ESR1ALDH1A1GAAKMT2AESR2
SCHEMBL7770189 0.77 HDAC3 (0.42) ESR1ALDH1A1GAAMEN1KMT2A
SCHEMBL11098025 0.75 ALDH1A1 (0.53) ESR1ALDH1A1GAALMNAMEN1
SCHEMBL1463877 0.74 EGFR (0.55) MEN1KMT2A
SCHEMBL4239901 0.73 SMN1; SMN2 (0.54) ESR1ALDH1A1GAALMNAMEN1
SCHEMBL1161500 0.72 CASP3 (0.43) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL30481322 0.72 CASP3 (0.43) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL12744507 0.71 KMT2A (0.52) ALDH1A1GAALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071148-A1 COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-03-24 US claimed
US-20110071148-A1 COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-03-24 US disclosed
EP-2266962-A1 THE COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2010-12-29 EP disclosed
CN-101531638-A Compounds useful as estrogen-related receptor modulators and uses thereof CHINESE ACADEMY OF SCIENCES GU 2009-09-16 CN 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-20110071148-A1 COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG ESR1 5/4885ALDH1A1 412/4885GAA 648/4885

“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.