SCHEMBL18917449

SCHEMBL18917449

Cc1cc(N)ccc1N(N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.44
DPP4 P27487 1/20 0.44
CYP3A4 P08684 2/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18917442 0.78 CYP3A4 (0.39) ANPEPDPP4CYP3A4NFKB1PMP22
SCHEMBL18917445 0.77 CYP3A4 (0.37) ANPEPDPP4CYP3A4NFKB1PMP22
SCHEMBL10885032 0.72 CYP3A4 (0.66) ANPEPDPP4CYP3A4NFKB1PMP22
SCHEMBL18806460 0.69 CYP3A4 (0.61) ANPEPDPP4CYP3A4NFKB1PMP22
SCHEMBL30136662 0.69 TGM2 (0.49) ANPEPDPP4CYP3A4NFKB1PMP22
SCHEMBL11824560 0.66 ALDH1A1 (0.50) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL28266745 0.66 ALDH1A1 (0.52) ANPEPDPP4CYP3A4NFKB1PMP22
SCHEMBL14011318 0.66 KMT2A (0.50) ANPEPDPP4CYP3A4NFKB1PMP22
SCHEMBL8146041 0.66 ALDH1A1 (0.54) ANPEPDPP4CYP3A4ALDH1A1NPC1
SCHEMBL214484 0.66 ALDH1A1 (0.54) CYP3A4ALDH1A1TSHRMEN1KMT2A

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
US-20170158608-A1 Process for the Preparation of 2-Alkoxymethyl-1,4-Benzenediamines THE PROCTER & GAMBLE COMPANY 2017-06-08 US disclosed
WO-2017095677-A1 PROCESS FOR THE PREPARATION OF 2-ALKOXYMETHYL-1, 4-BENZENEDIAMINES THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 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-20170158608-A1 Process for the Preparation of 2-Alkoxymethyl-1,4-Benzenediamines CYP1A1, CYP4B1, CYP1B1 ANPEP 3261/4885DPP4 2999/4885CYP3A4 5/4885

“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.