SCHEMBL4907580

SCHEMBL4907580

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.43
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
RUVBL1 Q9Y265 1/20 0.40
IGF1R P08069 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RCE1 Q9Y256 1/20 0.38
KDM1A O60341 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSL P07711 1/20 0.37

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
SCHEMBL4909694 0.94 IDO1 (0.40) IDO1MAPTKDM4ETP53
SCHEMBL4909277 0.94 IDO1 (0.44) IDO1MEN1MAPTKMT2AALDH1A1
SCHEMBL4912997 0.92 RUVBL1 (0.39) IDO1MEN1MAPTKMT2AALDH1A1
SCHEMBL4916171 0.91 KDM1A (0.47) IDO1MAPTALDH1A1IGF1RKDM4E
SCHEMBL4904595 0.91 KDM1A (0.48) MEN1MAPTKMT2AALDH1A1IGF1R
SCHEMBL4904603 0.91 KDM1A (0.42) IDO1MEN1MAPTKMT2AALDH1A1
SCHEMBL4912315 0.91 KDM1A (0.42) IDO1MAPTALDH1A1KDM4EHPGD
SCHEMBL4902270 0.88 KDM1A (0.42) IDO1MEN1MAPTKMT2AALDH1A1
SCHEMBL4912623 0.88 KDM1A (0.39) IDO1MAPTALDH1A1IGF1RKDM4E
SCHEMBL4908949 0.87 ABL1 (0.45) IDO1MEN1KMT2AKDM1A

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 2733/4885MEN1 4701/4885MAPT 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.