SCHEMBL4910088

SCHEMBL4910088

COc1cc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3c(OC)cccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.51
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TOP2A P11388 3/20 0.40
TOP2B Q02880 3/20 0.40
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
POLB P06746 3/20 0.39
RAD52 P43351 2/20 0.39
KMT2A Q03164 2/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 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
SCHEMBL4912187 0.95 KDM1A (0.49) KDM1APARP1ALDH1A1GAAHTT
SCHEMBL4912328 0.94 KDM1A (0.48) KDM1APARP1TOP2ATOP2BKIT
SCHEMBL4902395 0.94 KDM1A (0.46) KDM1APARP1ALDH1A1GAAHTT
SCHEMBL4901500 0.93 KDM1A (0.47) KDM1AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL4910324 0.91 KDM1A (0.55) KDM1APARP1
SCHEMBL4913194 0.91 TOP2A (0.41) KDM1APARP1ALDH1A1GAAHTT
SCHEMBL4909276 0.89 KDM1A (0.48) KDM1APARP1ALDH1A1GAAHTT
SCHEMBL4910913 0.89 KDM1A (0.51) KDM1APARP1ALDH1A1TOP2ATOP2B
SCHEMBL4913240 0.88 KDM1A (0.50) KDM1APARP1SMN1; SMN2TOP2ATOP2B
SCHEMBL4912617 0.88 KDM1A (0.48) KDM1APARP1SMN1; SMN2TOP2ATOP2B

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 722/4885PARP1 778/4885ALDH1A1 1144/4885

“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.