SCHEMBL21786604

SCHEMBL21786604

Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.60
STIM1 Q13586 1/20 0.60
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
TMPRSS4 Q9NRS4 2/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL2586511 0.90 ORAI1 (0.58) ORAI1STIM1RAB9ANPC1SMN1; SMN2
SCHEMBL22787019 0.88 TMPRSS4 (0.48) ORAI1STIM1RAB9ASMN1; SMN2TP53
SCHEMBL2594838 0.88 ORAI1 (0.56) ORAI1STIM1RAB9ANPC1SMN1; SMN2
SCHEMBL2592032 0.87 ORAI1 (0.55) ORAI1STIM1RAB9ANPC1SMN1; SMN2
SCHEMBL22791260 0.86 TMPRSS4 (0.51) ORAI1STIM1RAB9ASMN1; SMN2TP53
SCHEMBL2592332 0.83 STIM1 (0.49) ORAI1STIM1SMN1; SMN2TMPRSS4MAPT
SCHEMBL5248187 0.83 ORAI1 (0.60) ORAI1STIM1RAB9ANPC1SMN1; SMN2
SCHEMBL12156171 0.82 ORAI1 (0.64) ORAI1STIM1RAB9ANPC1SMN1; SMN2
SCHEMBL12155399 0.82 ORAI1 (0.59) ORAI1STIM1RAB9ANPC1SMN1; SMN2
SCHEMBL12155739 0.81 ORAI1 (0.58) ORAI1STIM1RAB9ANPC1SMN1; SMN2

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 4 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
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ORAI1 4867/4885STIM1 3524/4885RAB9A 2795/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 ORAI1 4867/4885STIM1 3524/4885RAB9A 2795/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 ORAI1 4867/4885STIM1 3524/4885RAB9A 2795/4885

“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.