SCHEMBL15097277

SCHEMBL15097277

Cc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2cc(N(C)C)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HCRTR1 O43613 2/20 0.53
HCRTR2 O43614 2/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HTR2B P41595 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
IGF1R P08069 2/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL15101309 0.91 MAPT (0.46) MAPTTDP1MEN1KMT2AHCRTR1
SCHEMBL4910169 0.89 HCRTR1 (0.55) MAPTTDP1MEN1KMT2AHCRTR1
SCHEMBL4902799 0.87 IGF1R (0.64) MAPTTDP1MEN1KMT2AHCRTR1
SCHEMBL4913217 0.87 IGF1R (0.61) MEN1KMT2AIGF1R
SCHEMBL4912175 0.86 IGF1R (0.48) MAPTTDP1MEN1KMT2AHCRTR1
SCHEMBL17277025 0.84 IGF1R (0.60) MAPTTDP1MEN1KMT2AHCRTR1
SCHEMBL4938634 0.83 MAPT (0.53) MAPTTDP1MEN1KMT2AHCRTR1
SCHEMBL4910373 0.81 IGF1R (0.61) MAPTTDP1MEN1KMT2AHCRTR1
SCHEMBL15097299 0.81 HTT (0.51) MAPTTDP1MEN1KMT2AMAPK1
SCHEMBL5801737 0.79 IGF1R (0.71) MAPTTDP1MEN1KMT2AHCRTR1

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 MAPT 3624/4885TDP1 43/4885MEN1 3722/4885

“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.