SCHEMBL4940664

SCHEMBL4940664

O=C(Nc1ccc(Oc2cc(-c3ccccc3)nc3ccccc23)cc1)Nc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.47
MAPK14 Q16539 2/20 0.47
CYP3A4 P08684 6/20 0.47
TRPV1 Q8NER1 2/20 0.44
CSF1R P07333 3/20 0.43
KDR P35968 3/20 0.43
MOK Q9UQ07 2/20 0.43
TNNI3K Q59H18 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDGFRA P16234 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL4939442 0.87 BRAF (0.62) BRAFMAPK14CSF1RKDRTNNI3K
SCHEMBL4910940 0.85 PLA2G2A (0.48) CYP3A4CSF1RKDRMEN1KMT2A
SCHEMBL4914944 0.85 IGF1R (0.53) CYP3A4TRPV1MOKMEN1KMT2A
SCHEMBL15101655 0.83 ABCG2 (0.53) CYP3A4TRPV1MOKMEN1KMT2A
SCHEMBL4905104 0.82 IGF1R (0.60) CYP3A4MEN1KMT2AIGF1R
SCHEMBL4909868 0.80 CYP3A4 (0.48) CYP3A4TRPV1MOKMEN1KMT2A
SCHEMBL15097296 0.80 ABCG2 (0.63) CYP3A4MOKMEN1KMT2A
SCHEMBL4911277 0.80 IGF1R (0.60) CYP3A4TRPV1MOKMEN1KMT2A
SCHEMBL4907465 0.79 IGF1R (0.53) CYP3A4MEN1KMT2AIGF1R
SCHEMBL4912812 0.79 KMT2A (0.49) CYP3A4MOKMEN1KMT2AIGF1R

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-8222297-B2 e.g. 1-[3-(acridin-9-ylamino)-5-hydroxymethylphenyl]-3-{4-[bis(2-chloroethyl)amino]phenyl}urea; anticarcinogenic agent; improved chemical stability and efficacy; brain tumor, breast cancer, colon cancer, leukemia, and neuroblastoma ACADEMIA SINICA (TW) 2012-07-17 US disclosed
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 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-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents WEE1, PCNA, ATIC BRAF 859/4885MAPK14 2677/4885CYP3A4 1084/4885

“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.