SCHEMBL16870810

SCHEMBL16870810

CCOC(=O)Cn1cc(C(F)(F)F)ccc1=N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
FPR2 P25090 1/20 0.43
TRPM2 O94759 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
KMT2A Q03164 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL27978533 0.86 LMNA (0.46) PPARGFPR2TRPM2ALDH1A1MAPT
SCHEMBL14821764 0.81 POLB (0.46) PPARGALDH1A1MAPTLMNANPSR1
SCHEMBL16867095 0.81 ALDH1A1 (0.48) PPARGALDH1A1MAPTLMNANPSR1
Bromide SCHEMBL11028063 0.80 POLB (0.45) PPARGALDH1A1MAPTLMNANPSR1
SCHEMBL22519187 0.79 KDM4E (0.43) TP53ALDH1A1MAPTCYP2C19CYP1A2
SCHEMBL22074459 0.77 POLB (0.47) PPARGALDH1A1MAPTLMNACYP2C9
Bromide SCHEMBL7918168 0.77 PPARG (0.44) PPARGALDH1A1MAPTLMNAPOLB
Bromide SCHEMBL16648412 0.74 ALDH1A1 (0.36) TP53ALDH1A1MAPTLMNACYP2C19
SCHEMBL3576418 0.72 KDM4E (0.51) ALDH1A1MAPTLMNANPSR1CYP2C9
Bromide SCHEMBL3576414 0.71 KDM4E (0.50) ALDH1A1MAPTLMNANPSR1CYP2C9

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
US-9271500-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-01 US disclosed
US-20150181880-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-02 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-20150181880-A1 FUSED HETEROCYCLIC COMPOUND C5, CYC1, CYP1A1 PPARG 2121/4885FPR2 431/4885TRPM2 3789/4885

“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.