SCHEMBL4907501

SCHEMBL4907501

COc1cc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccccc3n2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
IGF1R P08069 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DHODH Q02127 5/20 0.46
POLB P06746 3/20 0.46
S1PR1 P21453 1/20 0.43
OPRD1 P41143 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MOK Q9UQ07 1/20 0.43

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
SCHEMBL4912698 0.93 KDM4E (0.54) MAPTKDM4EIGF1RMEN1KMT2A
SCHEMBL4909943 0.90 CA12 (0.47) MAPTKDM4EIGF1RMEN1KMT2A
SCHEMBL4909604 0.90 MAPT (0.54) MAPTKDM4EIGF1RMEN1KMT2A
SCHEMBL4905104 0.88 IGF1R (0.60) IGF1RMEN1KMT2A
SCHEMBL4907465 0.86 IGF1R (0.53) MAPTKDM4EIGF1RMEN1KMT2A
SCHEMBL4905092 0.86 IGF1R (0.55) KDM4EIGF1RMEN1KMT2AALDH1A1
SCHEMBL4910944 0.86 IGF1R (0.50) IGF1RMEN1KMT2ADHODHS1PR1
SCHEMBL4914944 0.85 IGF1R (0.53) KDM4EIGF1RMEN1KMT2AS1PR1
SCHEMBL4911258 0.85 CYP3A4 (0.52) KDM4EIGF1RKMT2AS1PR1OPRD1
SCHEMBL4911479 0.84 KMT2A (0.55) MAPTKDM4EIGF1RMEN1KMT2A

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 3066/4885KDM4E 873/4885IGF1R 3991/4885

“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.