SCHEMBL4902270

SCHEMBL4902270

COc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2cccc(OC)c2nc2c(C(=O)O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
IDO1 P14902 1/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CSF1R P07333 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE10A Q9Y233 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4909277 0.94 IDO1 (0.44) KDM1AIDO1MAPTKDM4ECSF1R
SCHEMBL4912880 0.94 ABL1 (0.42) KDM1AIDO1
SCHEMBL4909694 0.94 IDO1 (0.40) IDO1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL4909986 0.93 KDM1A (0.45) KDM1AIDO1MAPTKDM4ERAB9A
SCHEMBL4912172 0.92 PIM1 (0.40) KDM1AMAPTKDM4ECSF1RAURKA
SCHEMBL4909587 0.90 KDM1A (0.42) KDM1AIDO1MAPTKDM4ENPC1
SCHEMBL4912315 0.90 KDM1A (0.42) KDM1AIDO1MAPTKDM4EALDH1A1
SCHEMBL4907580 0.88 IDO1 (0.43) KDM1AIDO1MAPTKDM4ETP53
SCHEMBL4908894 0.88 KDM1A (0.43) KDM1AIDO1PDE10APARP1
SCHEMBL4916171 0.87 KDM1A (0.47) KDM1AIDO1MAPTKDM4EALDH1A1

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 KDM1A 722/4885IDO1 2733/4885MAPT 3066/4885

“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.