SCHEMBL4908693

SCHEMBL4908693

O=C(NNc1cc(-c2c(Cl)cccc2Cl)nc2ccccc12)Nc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 4/20 0.46
GAA P10253 3/20 0.46
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
IGF1R P08069 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HCRTR1 O43613 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 1/20 0.39
S1PR1 P21453 1/20 0.38

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
SCHEMBL4909254 0.92 IGF1R (0.52) MAPTGAAEGFRERBB2IGF1R
SCHEMBL4911336 0.91 MEN1 (0.49) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4906269 0.90 MAPT (0.46) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4909868 0.89 CYP3A4 (0.48) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4908990 0.88 MAPT (0.42) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4908813 0.87 MAPT (0.49) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4911747 0.86 MAPT (0.58) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4910632 0.84 MAPT (0.42) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4911280 0.84 MAPT (0.44) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4907206 0.84 MEN1 (0.42) MAPTNPSR1GAAEGFRERBB2

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 3066/4885NPSR1 4536/4885GAA 434/4885

“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.