SCHEMBL4911747

SCHEMBL4911747

O=C(NNc1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)Nc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ NPSR1 Q6W5P4 4/20 0.58
▸ GAA P10253 2/20 0.47
▸ IGF1R P08069 2/20 0.45
▸ ACP1 P24666 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HTT P42858 2/20 0.39

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
SCHEMBL4908813 0.94 MAPT (0.49) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL4911351 0.92 MEN1 (0.55) MAPTMEN1KMT2ANPSR1IGF1R
SCHEMBL4911336 0.92 MEN1 (0.49) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL4908693 0.86 MAPT (0.46) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL4909868 0.86 CYP3A4 (0.48) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL4910632 0.86 MAPT (0.42) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL4907206 0.86 MEN1 (0.42) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL4911280 0.86 MAPT (0.44) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL4911356 0.85 IGF1R (0.55) MAPTMEN1KMT2ANPSR1IGF1R
SCHEMBL4906245 0.85 MAPT (0.42) MAPTMEN1KMT2ANPSR1GAA

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

“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.

Send feedback