SCHEMBL22803271

SCHEMBL22803271

O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.51
IDH1 O75874 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 4/20 0.47
ESR1 P03372 2/20 0.46
MAOA P21397 3/20 0.45
MAOB P27338 3/20 0.45
PRKCI P41743 1/20 0.45
TRPV1 Q8NER1 1/20 0.42
EGFR P00533 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL22803696 0.80 NPC1 (0.67) EPHX1NPC1RAB9AMAPTMAOA
SCHEMBL22803968 0.80 ESR1 (0.62) EPHX1IDH1NPC1RAB9AMAPT
SCHEMBL22803276 0.80 IDH1 (0.52) EPHX1IDH1NPC1RAB9AMAPT
SCHEMBL31668688 0.79 MAOA (0.66) EPHX1NPC1RAB9AMAPTMAOA
SCHEMBL30504231 0.79 IDH1 (0.61) EPHX1IDH1NPC1RAB9AMAPT
SCHEMBL17664180 0.79 IDH1 (0.61) EPHX1IDH1NPC1RAB9AMAPT
SCHEMBL22803273 0.78 IDH1 (0.53) EPHX1IDH1NPC1RAB9AMAPT
SCHEMBL4000123 0.78 TRPV1 (0.63) IDH1NPC1RAB9AMAPTMAOA
SCHEMBL4000115 0.78 TRPV1 (0.63) IDH1NPC1RAB9AMAPTMAOA
SCHEMBL20360718 0.78 NPC1 (0.48) NPC1RAB9AMAPTTRPV1MEN1

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-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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 (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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 EPHX1 1188/4885IDH1 2467/4885NPC1 249/4885

“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.