SCHEMBL17816973

SCHEMBL17816973

CCCCCCCCCCCCCCCCCCNC=C1C(=O)NC(=S)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH7 P40394 2/20 0.44
EPHX1 P07099 1/20 0.44
ADH4 P08319 1/20 0.44
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL13024507 0.80 ADH1B (0.42) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL8872071 0.73 KDM4E (0.45) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL27945032 0.72 SMN1; SMN2 (0.51) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL27945031 0.72 SMN1; SMN2 (0.51) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL3019082 0.72 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL3019079 0.72 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1149428 0.70 SMN1; SMN2 (0.52) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL8872366 0.68 CSNK1G1 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL21049700 0.66 EPHX1 (0.61) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL1535984 0.66

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 ADH1B 636/4885ADH1C 2578/4885ADH1A 2429/4885

“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.