SCHEMBL19865072

SCHEMBL19865072

Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.62
CTSS P25774 2/20 0.55
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GABRA1 P14867 1/20 0.52
HPGD P15428 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IDO1 P14902 1/20 0.50
KMO O15229 1/20 0.50
BRD4 O60885 1/20 0.49
LMNA P02545 1/20 0.48
XDH P47989 2/20 0.48

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
SCHEMBL20631499 0.89 KDM1A (0.50) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL20631452 0.89 KDM1A (0.50) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL20631587 0.85 KIF11 (0.50) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL1549312 0.81 KDM1A (0.56) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL2553996 0.81 KDM1A (0.56) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL2615262 0.81 CTSS (0.60) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL20923959 0.80 KDM1A (0.70) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL1549825 0.80 KDM1A (0.55) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL1549846 0.80 KDM1A (0.55) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL13854087 0.79 CTSS (0.58) KDM1ACTSSALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 EP disclosed
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 US 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM1A 891/4885CTSS 1848/4885ALDH1A1 1910/4885

“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.