SCHEMBL4911269

SCHEMBL4911269

COc1ccc2c(-c3cc(NC(=O)NN)ccc3N(CCCl)CCCl)cc(C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KCNH2 Q12809 2/20 0.38
GNG2 P59768 2/20 0.38
GNB1 P62873 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.37
OPRL1 P41146 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
CSF1R P07333 2/20 0.36
MEN1 O00255 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4912876 0.90 TACR3 (0.42) KDM4EMEN1KMT2A
SCHEMBL4943382 0.88 GNG2 (0.40) SMN1; SMN2KDM4EPOLBGNG2GNB1
SCHEMBL4910059 0.88 GNG2 (0.40) POLBGNG2GNB1OPRL1MEN1
SCHEMBL4912687 0.83 GNG2 (0.43) GNG2GNB1OPRL1MEN1MMP1
SCHEMBL4912691 0.83 PLA2G2A (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL4915549 0.82 GNG2 (0.42) GNG2GNB1ATMMAPTGAA
SCHEMBL4914093 0.82 MEN1 (0.48) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL4908985 0.82 CA2 (0.49) IGF1RALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL4905121 0.82 CYP2D6 (0.44) IGF1RALDH1A1KDM4EPOLBMAPT
SCHEMBL4912416 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EMAPTGAA

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 IGF1R 3991/4885ALDH1A1 1144/4885SMN1; SMN2 4099/4885

“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.