SCHEMBL4907206

SCHEMBL4907206

Cc1ccccc1-c1cc(NNC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 3/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HCRTR1 O43613 1/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
S1PR1 P21453 1/20 0.41
OPRD1 P41143 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL4909691 0.92 S1PR1 (0.51) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4911336 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDCYP3A4
SCHEMBL4910632 0.89 MAPT (0.42) MEN1KMT2AALDH1A1HPGDCYP3A4
SCHEMBL4911280 0.89 MAPT (0.44) MEN1KMT2AALDH1A1CYP3A4POLB
SCHEMBL4910374 0.89 ACP1 (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4909868 0.88 CYP3A4 (0.48) MEN1KMT2AKDM4ECYP3A4POLB
SCHEMBL4902011 0.87 IGF1R (0.53) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL4908813 0.86 MAPT (0.49) MEN1KMT2AALDH1A1CYP3A4POLB
SCHEMBL4911747 0.86 MAPT (0.58) MEN1KMT2AALDH1A1CYP3A4POLB
SCHEMBL4906245 0.85 MAPT (0.42) MEN1KMT2AALDH1A1MAPTNPSR1

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 876/4885ALDH1A1 1144/4885

“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.