SCHEMBL22791109

SCHEMBL22791109

N#Cc1cncc(-c2c(OCc3ccc(Cl)cc3)ccc(-c3cc(C(F)(F)F)n[nH]3)c2O)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
XDH P47989 2/20 0.36
PTGER1 P34995 5/20 0.35
TBXA2R P21731 4/20 0.35
CCR5 P51681 1/20 0.35
USP7 Q93009 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.33
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL21786482 0.88 TBXA2R (0.37) PTGER1TBXA2RCCR5MRGPRX4
SCHEMBL21786536 0.88 PTGER1 (0.41) CNR1PTGER1TBXA2RMRGPRX4
SCHEMBL22791110 0.86 TBXA2R (0.36) PTGER1TBXA2RCCR5MRGPRX4
SCHEMBL21786475 0.86 TBXA2R (0.35) CNR1PTGER1TBXA2RCCR5MRGPRX4
SCHEMBL22791119 0.84 USP7 (0.38) USP7CYP1A2METAP2
SCHEMBL23913056 0.83 TBXA2R (0.35) PTGER1TBXA2RCCR5MRGPRX4
SCHEMBL21786498 0.83 SCN9A (0.37) CNR1XDHCCR5USP7
SCHEMBL21786539 0.82 XDH (0.35) XDHUSP7CYP1A2METAP2
SCHEMBL21786540 0.82 USP7 (0.37) CNR1USP7CYP1A2METAP2
SCHEMBL21786542 0.80 USP7 (0.35) CNR1XDHPTGER1TBXA2RCCR5

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
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 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 (2 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CNR1 2368/4885XDH 3318/4885PTGER1 4862/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CNR1 2368/4885XDH 3318/4885PTGER1 4862/4885

“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.