SCHEMBL4906243

SCHEMBL4906243

COc1ccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccc(OC)cc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.50
IGF1R P08069 1/20 0.48
MOK Q9UQ07 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
ACHE P22303 1/20 0.44
CSF1R P07333 2/20 0.44
AURKB Q96GD4 1/20 0.44
ABL1 P00519 1/20 0.44
YES1 P07947 1/20 0.44
PIM1 P11309 1/20 0.44
MAPK1 P28482 1/20 0.44
HIPK1 Q86Z02 1/20 0.44
ACP1 P24666 5/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ESR2 Q92731 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
SCHEMBL4911441 0.93 PLA2G2A (0.49) TACR3IGF1RSMN1; SMN2POLBACHE
SCHEMBL4905104 0.92 IGF1R (0.60) IGF1RACP1CYP3A4NPC1RAB9A
SCHEMBL4910373 0.88 IGF1R (0.61) IGF1RSMN1; SMN2POLBCSF1RAURKB
SCHEMBL4911285 0.88 PLA2G2A (0.52) IGF1RSMN1; SMN2POLBACHECSF1R
SCHEMBL4909713 0.88 ACP1 (0.47) TACR3IGF1RSMN1; SMN2ABL1YES1
SCHEMBL4907465 0.85 IGF1R (0.53) TACR3IGF1RSMN1; SMN2ACP1CYP3A4
SCHEMBL4910173 0.85 KDM4E (0.50) TACR3IGF1RSMN1; SMN2CSF1RABL1
SCHEMBL4905092 0.84 IGF1R (0.55) IGF1RMOKABL1YES1PIM1
SCHEMBL4910940 0.84 PLA2G2A (0.48) SMN1; SMN2CSF1RAURKBCYP3A4MAPT
SCHEMBL4909943 0.84 CA12 (0.47) IGF1RSMN1; SMN2POLBMAPTPLA2G2A

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 TACR3 3450/4885IGF1R 3991/4885MOK 4566/4885

“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.