SCHEMBL4911285

SCHEMBL4911285

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.52
ACP1 P24666 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
IGF1R P08069 1/20 0.46
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
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
DHODH Q02127 2/20 0.43
ACHE P22303 1/20 0.42
CSF1R P07333 1/20 0.42

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) PLA2G2AACP1SMN1; SMN2NPC1RAB9A
SCHEMBL4911441 0.93 PLA2G2A (0.49) PLA2G2AACP1SMN1; SMN2NPC1RAB9A
SCHEMBL4908277 0.91 MAPT (0.46) PLA2G2AACP1SMN1; SMN2NPC1RAB9A
SCHEMBL4904606 0.89 MAPT (0.44) PLA2G2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4905104 0.89 IGF1R (0.60) ACP1NPC1RAB9AIGF1RCYP3A4
SCHEMBL4906243 0.88 TACR3 (0.50) PLA2G2AACP1SMN1; SMN2NPC1RAB9A
SCHEMBL4910173 0.85 KDM4E (0.50) PLA2G2ASMN1; SMN2MAPTHTTIGF1R
SCHEMBL4910940 0.84 PLA2G2A (0.48) PLA2G2ASMN1; SMN2MAPTHTTKDM4E
SCHEMBL4909943 0.84 CA12 (0.47) PLA2G2ASMN1; SMN2MAPTIGF1RKDM4E
SCHEMBL4911678 0.84 MAPT (0.45) SMN1; SMN2MAPTIGF1RKDM4EPOLB

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 4523/4885ACP1 816/4885SMN1; SMN2 4099/4885

“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.