SCHEMBL4911441

SCHEMBL4911441

COc1ccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cc(OC)ccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.49
IGF1R P08069 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
ABL1 P00519 1/20 0.46
YES1 P07947 1/20 0.46
PIM1 P11309 1/20 0.46
MAPK1 P28482 1/20 0.46
HIPK1 Q86Z02 1/20 0.46
CYP3A4 P08684 1/20 0.46
ACHE P22303 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
GRIK1 P39086 1/20 0.44
TACR3 P29371 1/20 0.44
MAPT P10636 2/20 0.43
ACP1 P24666 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
SCHEMBL4909713 0.95 ACP1 (0.47) PLA2G2AIGF1RKDM4ESMN1; SMN2ABL1
SCHEMBL4911285 0.93 PLA2G2A (0.52) PLA2G2AIGF1RKDM4ESMN1; SMN2POLB
SCHEMBL4906243 0.93 TACR3 (0.50) PLA2G2AIGF1RSMN1; SMN2POLBABL1
SCHEMBL4910173 0.92 KDM4E (0.50) PLA2G2AIGF1RKDM4ESMN1; SMN2ABL1
SCHEMBL4905104 0.92 IGF1R (0.60) IGF1RCYP3A4ACP1NPC1RAB9A
SCHEMBL4909943 0.91 CA12 (0.47) PLA2G2AIGF1RKDM4ESMN1; SMN2POLB
SCHEMBL4911678 0.90 MAPT (0.45) IGF1RKDM4ESMN1; SMN2POLBCA12
SCHEMBL4910940 0.89 PLA2G2A (0.48) PLA2G2AKDM4ESMN1; SMN2CYP3A4CA12
SCHEMBL4904606 0.89 MAPT (0.44) PLA2G2AIGF1RKDM4ESMN1; SMN2ABL1
SCHEMBL4913217 0.88 IGF1R (0.61) IGF1RSMN1; SMN2POLBTP53MEN1

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 PLA2G2A 4523/4885IGF1R 3991/4885KDM4E 873/4885

“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.