SCHEMBL19319902

SCHEMBL19319902

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
MAOB P27338 7/20 0.40
MAOA P21397 4/20 0.40
MCHR1 Q99705 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19319825 0.91 MAOB (0.46) ARPTGS1PTGS2NPSR1CYP1A2
SCHEMBL21786606 0.90 MAOB (0.46) ARPTGS1PTGS2NPSR1CYP1A2
SCHEMBL19319903 0.89 AR (0.41) ARPTGS1PTGS2NPSR1CYP1A2
SCHEMBL21786607 0.87 MAOB (0.42) ARPTGS1PTGS2NPSR1CYP1A2
SCHEMBL21786427 0.86 SCN9A (0.43) ARPTGS1PTGS2NPSR1CYP1A2
SCHEMBL21786608 0.86 AR (0.41) ARPTGS1PTGS2NPSR1CYP1A2
SCHEMBL21786602 0.85 MAOB (0.44) ARPTGS1PTGS2NPSR1CYP1A2
SCHEMBL19319875 0.82 PTGS1 (0.42) ARPTGS1PTGS2NPSR1CYP1A2
SCHEMBL21786623 0.78 HTR2A (0.40) STIM1ORAI1
SCHEMBL21786422 0.78 LMNA (0.41) ARNPSR1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426636-B1 SPECIFIC 2-(4-(PHENOXY)-1H-PYRAZOL-3-YL)PHENOL DERIVATIVES AS INHIBITORS OF C-MYC/DNA BINDING ACTIVITY FOR TREATING CANCER UNIV NORTHWESTERN (US) 2021-12-29 EP disclosed
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 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
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 WO disclosed
US-20170253581-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2017-09-07 US disclosed
US-20170253581-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2017-09-07 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 (4 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 AR 1442/4885PTGS1 4608/4885PTGS2 4675/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 AR 1442/4885PTGS1 4608/4885PTGS2 4675/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 AR 1442/4885PTGS1 4608/4885PTGS2 4675/4885
US-20170253581-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 AR 1401/4885PTGS1 4628/4885PTGS2 4688/4885

“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.