SCHEMBL4909833

SCHEMBL4909833

COc1cccc(-c2cc(Cl)c3cc(OC)ccc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
PLA2G2A P14555 2/20 0.52
TOP1 P11387 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
ACACA Q13085 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
VDR P11473 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL6534209 0.91 KDM4E (0.71) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL29636809 0.87 KDM4E (0.65) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL4496204 0.87 KDM4E (0.65) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL4914795 0.83 KDM4E (0.59) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL374734 0.81 KDM4E (0.72) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL4475462 0.80 KDM4E (0.53) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL4600353 0.80 KDM4E (0.71) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL1289553 0.79 ACP1 (0.56) KDM4ESMN1; SMN2MEN1KMT2AAURKA
SCHEMBL29420513 0.77 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL830265 0.77 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
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 (2 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 KDM4E 873/4885SMN1; SMN2 4099/4885MEN1 4701/4885
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG KDM4E 988/4885SMN1; SMN2 1099/4885MEN1 3722/4885

“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.