SCHEMBL4910450

SCHEMBL4910450

COc1ccc(OC)c(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.54
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ACP1 P24666 1/20 0.46
NTRK1 P04629 3/20 0.45
NTRK2 Q16620 3/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 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
SCHEMBL4912807 0.93 IGF1R (0.54) IGF1RACP1NTRK1NTRK2HTR2C
SCHEMBL4905125 0.93 IGF1R (0.45) IGF1RCYP2D6CYP2C9ACP1NTRK1
SCHEMBL4910944 0.91 IGF1R (0.50) IGF1RACP1HTR2CHTR2BCA12
SCHEMBL4911659 0.90 CA9 (0.52) IGF1RNTRK1NTRK2CA12CA1
SCHEMBL4905104 0.88 IGF1R (0.60) IGF1RACP1MEN1KMT2A
SCHEMBL4907465 0.86 IGF1R (0.53) IGF1RACP1MEN1KMT2AMAPT
SCHEMBL4912698 0.86 KDM4E (0.54) IGF1RMEN1KMT2AMAPTKDM4E
SCHEMBL4905092 0.86 IGF1R (0.55) IGF1RACP1HTR2CHTR2BMEN1
SCHEMBL4909604 0.84 MAPT (0.54) IGF1RMEN1KMT2AMAPTKDM4E
SCHEMBL4910374 0.84 ACP1 (0.44) IGF1RACP1HTR2CHTR2BCA12

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 3991/4885CYP2D6 1961/4885CYP2C9 1061/4885

“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.