SCHEMBL17817438

SCHEMBL17817438

CCCCCCCCCCCCCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.98
ALDH1A1 P00352 7/20 0.98
GAA P10253 6/20 0.98
GLA P06280 5/20 0.98
TSHR P16473 3/20 0.98
HSD17B10 Q99714 3/20 0.98
HPGD P15428 3/20 0.98
MAPK1 P28482 1/20 0.98
PKM P14618 1/20 0.61
S1PR1 P21453 1/20 0.60
OPRD1 P41143 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 2/20 0.58
RECQL P46063 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
EP300 Q09472 1/20 0.53
SOAT1 P35610 2/20 0.51
SPHK2 Q9NRA0 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
SCHEMBL16596179 0.84 ALDH1A1 (0.71) KDM4EALDH1A1GAAGLATSHR
SCHEMBL18332920 0.79 ALDH1A1 (0.72) KDM4EALDH1A1GAAGLATSHR
SCHEMBL27476154 0.76 ALDH1A1 (0.60) KDM4EALDH1A1GAAGLATSHR
SCHEMBL19308467 0.75 HTT (0.73) KDM4EALDH1A1GAAGLATSHR
SCHEMBL9395051 0.73 CETP (0.77) TSHRMAPK1MEN1KMT2AEP300
SCHEMBL5878480 0.73 CETP (0.77) TSHRMAPK1MEN1KMT2AEP300
SCHEMBL18248481 0.73 CETP (0.63) KDM4EALDH1A1GAAGLATSHR
SCHEMBL27779139 0.72 ALDH1A1 (0.65) KDM4EALDH1A1GAAGLATSHR
SCHEMBL31091435 0.72 EP300 (0.66) KDM4EALDH1A1GAAGLATSHR
SCHEMBL17817448 0.71 KDM4E (0.67) KDM4EALDH1A1GAAGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 KDM4E 812/4885ALDH1A1 999/4885GAA 1932/4885

“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.