SCHEMBL22402292

SCHEMBL22402292

COc1ccc(-c2cccc(C(F)(F)F)n2)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
CYP1A2 P05177 1/20 0.43
METAP2 P50579 1/20 0.43
IDH1 O75874 7/20 0.41
IDH2 P48735 1/20 0.41
GAA P10253 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
NOTUM Q6P988 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.37
PHGDH O43175 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TGFBR1 P36897 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL9007764 0.87 BRD9 (0.41) CYP1A2METAP2BRD9BRD7POLB
SCHEMBL18287252 0.81 CYP1A2 (0.44) GABRA1GABRG2GABRB3GABRA3CYP1A2
SCHEMBL17826973 0.78 CCR1 (0.48) CYP1A2METAP2BRD9BRD7POLB
SCHEMBL29688303 0.77 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3IDH1
SCHEMBL11999816 0.77 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3IDH1
SCHEMBL31438401 0.73 BRD9 (0.56) CYP1A2METAP2BRD9BRD7POLB
SCHEMBL17276010 0.73 BRD9 (0.56) CYP1A2METAP2BRD9BRD7POLB
SCHEMBL18287242 0.72 TDP1 (0.45) BRD9BRD7POLBTDP1TGFBR1
SCHEMBL8514010 0.72 SMN1; SMN2 (0.50) CYP1A2GAABRD9BRD7POLB
SCHEMBL2083715 0.71 CYP1A2 (0.52) CYP1A2METAP2BRD9BRD7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2020-09-10 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-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 GABRA1 3660/4885GABRG2 4156/4885GABRB3 3222/4885

“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.