SCHEMBL4909277

SCHEMBL4909277

COc1ccc(Nc2c3cccc(OC)c3nc3c(C(=O)O)cccc23)cc1NC(=O)Nc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.44
KDM1A O60341 1/20 0.43
RUVBL1 Q9Y265 1/20 0.41
ALDH1A1 P00352 2/20 0.39
PARP1 P09874 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RCE1 Q9Y256 1/20 0.39
IGF1R P08069 1/20 0.38
CNR1 P21554 1/20 0.38
CSF1R P07333 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
SCHEMBL4902270 0.94 KDM1A (0.42) IDO1KDM1ARUVBL1ALDH1A1PARP1
SCHEMBL4912315 0.94 KDM1A (0.42) IDO1KDM1AALDH1A1PARP1MAPT
SCHEMBL4907580 0.94 IDO1 (0.43) IDO1KDM1ARUVBL1ALDH1A1MEN1
SCHEMBL4916171 0.93 KDM1A (0.47) IDO1KDM1AALDH1A1PARP1MAPT
SCHEMBL4905071 0.92 KDM1A (0.40) IDO1KDM1ARUVBL1PARP1MEN1
SCHEMBL4916201 0.91 KDM1A (0.55) KDM1AALDH1A1PARP1MEN1MAPT
SCHEMBL4912880 0.90 ABL1 (0.42) IDO1KDM1A
SCHEMBL4909587 0.89 KDM1A (0.42) IDO1KDM1AALDH1A1PARP1MEN1
SCHEMBL4908894 0.89 KDM1A (0.43) IDO1KDM1APARP1
SCHEMBL4909694 0.88 IDO1 (0.40) IDO1MAPTKDM4E

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 IDO1 2733/4885KDM1A 722/4885RUVBL1 2389/4885

“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.