SCHEMBL1463663

SCHEMBL1463663

COc1ccc2c(=O)n(C)c(-c3ccccc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.59
▸ HRH3 Q9Y5N1 6/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RAB9A P51151 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ADRA1A P35348 5/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ EGFR P00533 2/20 0.51
▸ KCNA5 P22460 1/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50

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
SCHEMBL1462814 0.90 KCNH2 (0.60) KCNH2HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1463084 0.88 KCNH2 (0.58) KCNH2HRH3ALDH1A1CYP1A2POLB
SCHEMBL1463880 0.87 KCNH2 (0.60) KCNH2HRH3ALDH1A1KDM4ECYP1A2
SCHEMBL1463978 0.87 KCNH2 (0.60) KCNH2HRH3ALDH1A1KDM4ECYP1A2
SCHEMBL1463838 0.87 KCNH2 (0.60) KCNH2HRH3ALDH1A1KDM4ECYP1A2
SCHEMBL1463643 0.86 KCNH2 (0.52) KCNH2HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1463588 0.86 KCNH2 (0.52) KCNH2HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1463802 0.86 G6PD (0.59) KCNH2HRH3ALDH1A1KDM4ERAB9A
SCHEMBL31276974 0.86 CYP1A2 (0.73) KCNH2HRH3ALDH1A1KDM4ECYP1A2
SCHEMBL1463696 0.86 KCNH2 (0.54) KCNH2HRH3ALDH1A1SMN1; SMN2CYP1A2

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 5 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 disclosed
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
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 KCNH2 4431/4885HRH3 2531/4885ALDH1A1 412/4885

“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.

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