SCHEMBL14158772

SCHEMBL14158772

COC(=O)Cn1ccc2cc(F)c(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ HTR2A P28223 5/20 0.40
▸ HTR2C P28335 5/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ KRAS P01116 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37

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
SCHEMBL20512455 0.82 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL21810438 0.79 KDM4E (0.48) ATMKDM4EALDH1A1HPGDPOLB
SCHEMBL21810428 0.79 NTSR1 (0.57) ATMHTR2AHTR2CKRASNTSR1
SCHEMBL14487798 0.79 ATM (0.52) ATMKDM4EALDH1A1HPGDPOLB
SCHEMBL3481372 0.77 KMT2A (0.51) HTR2AHTR2CKRASNTSR1
SCHEMBL14485081 0.75 HTR2A (0.48) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL9200019 0.74 MTNR1A (0.60) ATMKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19674140 0.74 ATM (0.57) ATMKDM4EALDH1A1HPGDPOLB
SCHEMBL5449877 0.74 ATM (0.57) ATMKDM4EALDH1A1HPGDPOLB
SCHEMBL24144519 0.74 HTR2C (0.40) HTR2AHTR2CCYP3A4CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 — — EP disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 — — 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 ATM 4172/4885KDM4E 3581/4885ALDH1A1 730/4885

“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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