SCHEMBL4908689

SCHEMBL4908689

NNC(=O)Nc1ccc(N(CCCl)CCCl)c(-c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
GRM2 Q14416 2/20 0.39
HCRTR1 O43613 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
IGF1R P08069 1/20 0.38
CNR1 P21554 1/20 0.38
CA1 P00915 1/20 0.37
HTT P42858 1/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL4908802 0.94 MEN1 (0.42) MEN1KMT2AMAPTNPSR1CA12
SCHEMBL4911329 0.92 MEN1 (0.46) MEN1KMT2AMAPTNPSR1CA12
SCHEMBL4913215 0.90 CNR1 (0.43) MEN1KMT2AMAPTNPSR1CA12
SCHEMBL4912939 0.88 MAPT (0.47) MEN1KMT2AMAPTNPSR1CA12
SCHEMBL4911742 0.88 MEN1 (0.40) MEN1KMT2AMAPTNPSR1HCRTR1
SCHEMBL4910685 0.88 MAPT (0.40) MEN1KMT2AMAPTNPSR1CA12
SCHEMBL4909862 0.87 MAPT (0.42) MEN1KMT2AMAPTNPSR1CA12
SCHEMBL4913307 0.86 MAPT (0.49) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL4914080 0.86 TACR3 (0.41) MEN1KMT2AMAPTGRM2HCRTR1
SCHEMBL4907199 0.86 TACR3 (0.41) MEN1KMT2AMAPTCA12CA2

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 MEN1 4701/4885KMT2A 876/4885MAPT 3066/4885

“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.