SCHEMBL4905092

SCHEMBL4905092

COc1cc(OC)cc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.55
CYP3A4 P08684 2/20 0.47
S1PR1 P21453 1/20 0.46
OPRD1 P41143 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ACP1 P24666 5/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MOK Q9UQ07 1/20 0.43
ABL1 P00519 1/20 0.43
YES1 P07947 1/20 0.43
PIM1 P11309 1/20 0.43
MAPK1 P28482 1/20 0.43
HIPK1 Q86Z02 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
SCHEMBL4907465 0.93 IGF1R (0.53) IGF1RCYP3A4S1PR1OPRD1ACP1
SCHEMBL4905104 0.93 IGF1R (0.60) IGF1RCYP3A4ACP1MEN1KMT2A
SCHEMBL4909604 0.89 MAPT (0.54) IGF1RS1PR1OPRD1MEN1KMT2A
SCHEMBL4914944 0.89 IGF1R (0.53) IGF1RCYP3A4S1PR1OPRD1HTR2C
SCHEMBL4912698 0.88 KDM4E (0.54) IGF1RMEN1KMT2AKDM4EALDH1A1
SCHEMBL4903072 0.87 IGF1R (0.54) IGF1RCYP3A4S1PR1OPRD1HTR2C
SCHEMBL4910450 0.86 IGF1R (0.54) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4907501 0.86 MAPT (0.49) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4912807 0.86 IGF1R (0.54) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911258 0.86 CYP3A4 (0.52) IGF1RCYP3A4S1PR1OPRD1HTR2C

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 IGF1R 3991/4885CYP3A4 1084/4885S1PR1 4877/4885

“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.