SCHEMBL15097299

SCHEMBL15097299

Cc1ccc2nc(C)cc(Nc3cccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MITF O75030 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
JAK2 O60674 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
EGFR P00533 2/20 0.43
ERBB2 P04626 2/20 0.43
MEN1 O00255 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL15101593 0.89 ATM (0.55) HTTLMNAL3MBTL1MAPTKMT2A
SCHEMBL15097277 0.81 MAPT (0.53) L3MBTL1MAPTKMT2ATDP1KDM4E
SCHEMBL4902799 0.80 IGF1R (0.64) HTTL3MBTL1MAPTKMT2ATDP1
SCHEMBL4910169 0.80 HCRTR1 (0.55) MAPTKMT2ATDP1KDM4ENPC1
SCHEMBL15097296 0.79 ABCG2 (0.63) HTTMAPTKMT2AEGFRERBB2
SCHEMBL4913217 0.78 IGF1R (0.61) KMT2ASMN1; SMN2MEN1IGF1R
SCHEMBL4912175 0.77 IGF1R (0.48) HTTLMNAMAPTKMT2ATDP1
SCHEMBL17277025 0.77 IGF1R (0.60) HTTL3MBTL1MAPTKMT2ATDP1
SCHEMBL15101309 0.76 MAPT (0.46) L3MBTL1MAPTKMT2ATDP1KDM4E
SCHEMBL4902011 0.76 IGF1R (0.53) HTTL3MBTL1MAPTKMT2AKDM4E

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-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

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 HTT 861/4885LMNA 2316/4885L3MBTL1 336/4885

“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.