SCHEMBL15097296

SCHEMBL15097296

O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cccc(Nc2cc(-c3ccccc3)nc3ccccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.63
ABCB1 P08183 4/20 0.63
ABCC1 P33527 2/20 0.63
ACP1 P24666 7/20 0.48
CNR1 P21554 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MOK Q9UQ07 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL15101655 0.94 ABCG2 (0.53) ABCG2ABCB1ABCC1ACP1CYP3A4
SCHEMBL4914944 0.90 IGF1R (0.53) ABCG2ABCB1ABCC1ACP1CYP3A4
SCHEMBL4909868 0.85 CYP3A4 (0.48) ABCG2ABCB1ABCC1ACP1CYP3A4
SCHEMBL4915694 0.85 IGF1R (0.53) ACP1CNR1MAPTHTTNPSR1
SCHEMBL4911277 0.85 IGF1R (0.60) ACP1CNR1CYP3A4MAPTMOK
SCHEMBL4912729 0.84 IGF1R (0.47) ABCG2ABCB1ABCC1CNR1CYP3A4
SCHEMBL4909854 0.84 MEN1 (0.50) ABCG2ABCB1ABCC1ACP1CNR1
SCHEMBL4910112 0.84 ABCG2 (0.47) ABCG2ABCB1ABCC1ACP1CNR1
SCHEMBL4912812 0.84 KMT2A (0.49) ACP1CYP3A4MOKMEN1KMT2A
SCHEMBL4911258 0.84 CYP3A4 (0.52) ACP1CYP3A4MOKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 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-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG ABCG2 136/4885ABCB1 315/4885ABCC1 282/4885

“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.