SCHEMBL22956487

SCHEMBL22956487

O=C(COc1ccc(Cl)cn1)NC12CC(NC(=O)c3ccc(Cl)c(Cl)c3)(C1)C2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 12/20 0.50
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ TP53 P04637 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ S1PR1 P21453 3/20 0.39
▸ S1PR3 Q99500 3/20 0.39
▸ S1PR4 O95977 2/20 0.39
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL23149156 0.81 ATF4 (0.78) ATF4NPC1RAB9AMAPTTSHR
SCHEMBL19556403 0.80 ATF4 (0.47) ATF4
SCHEMBL20973815 0.80 ATF4 (0.64) ATF4
SCHEMBL30026071 0.80 ATF4 (0.64) ATF4
SCHEMBL19555770 0.80 ATF4 (0.60) ATF4NPC1RAB9ATSHR
SCHEMBL21618335 0.79 ATF4 (0.56) ATF4NPC1RAB9ATP53SMN1; SMN2
SCHEMBL19556468 0.77 ATF4 (0.51) ATF4
SCHEMBL19555860 0.75 ATF4 (0.63) ATF4
SCHEMBL22956490 0.75 HPGD (0.40) NPC1RAB9ATP53SMN1; SMN2CYP1A2
SCHEMBL23149185 0.74 ATF4 (0.62) ATF4NPC1RAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913727-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2021-02-09 — — 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-10913727-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 ATF4 1/4885NPC1 1252/4885RAB9A 2904/4885

“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.

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