SCHEMBL13829528

SCHEMBL13829528

CN(C)c1ccc(N=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTGS2 P35354 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ PTGS1 P23219 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL20921720 0.78 ALDH1A1 (0.48) MAPK1ALDH1A1TP53TSHRHIF1A
SCHEMBL3498925 0.76 TDP1 (0.53) MAPK1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL3498926 0.76 TDP1 (0.53) MAPK1ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL14047390 0.76 ALDH1A1 (0.33) MAPK1ALDH1A1TP53TSHRHIF1A
SCHEMBL4403906 0.73 CES2 (0.41) MAPK1ALDH1A1TP53TSHRHIF1A
SCHEMBL24754742 0.73 ALDH1A1 (0.44) MAPK1ALDH1A1TP53TSHRHIF1A
SCHEMBL11857540 0.72 MAPT (0.47) MAPK1ALDH1A1TP53TSHRHIF1A
SCHEMBL19680519 0.72 ALDH1A1 (0.53) MAPK1ALDH1A1TP53TSHRHIF1A
SCHEMBL5716211 0.72 DDB1 (0.44) MAPK1ALDH1A1TSHRMAPTTDP1
SCHEMBL1274361 0.70 ALDH1A1 (0.34) MAPK1ALDH1A1TP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 — — EP disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 — — 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-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB MAPK1 185/4885ALDH1A1 4530/4885TP53 881/4885

“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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