SCHEMBL18917442

SCHEMBL18917442

Nc1ccc(N(N2C(=O)c3ccccc3C2=O)N2C(=O)c3ccccc3C2=O)c(CBr)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 6/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
PTPRC P08575 2/20 0.36
HPGD P15428 2/20 0.36
BLM P54132 2/20 0.36

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
SCHEMBL18917445 0.82 CYP3A4 (0.37) CYP3A4NFKB1PMP22CYP2D6ALDH1A1
SCHEMBL18917449 0.78 ANPEP (0.44) CYP3A4NFKB1PMP22CYP2D6ALDH1A1
SCHEMBL14011320 0.63 RXFP1 (0.47) CYP3A4NFKB1PMP22ALDH1A1SMN1; SMN2
SCHEMBL14011318 0.63 KMT2A (0.50) CYP3A4NFKB1PMP22ALDH1A1NPC1
SCHEMBL17813341 0.62 PRKCI (0.42) CYP3A4ALDH1A1TSHRMAPK1TDP1
SCHEMBL6572103 0.62 MEN1 (0.38) CYP3A4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6574447 0.62 ALDH1A1 (0.41) CYP3A4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27637718 0.62 ANPEP (0.46) CYP3A4NFKB1PMP22CYP2D6ALDH1A1
SCHEMBL6687632 0.60 RXFP1 (0.71) CYP3A4ALDH1A1RAB9ATSHRTDP1
SCHEMBL20979820 0.60 CASP3 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1

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 CYP3A4 5/4885NFKB1 3077/4885PMP22 1692/4885

“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.