SCHEMBL4915549

SCHEMBL4915549

Cc1cc(-c2cc(NC(=O)NN)ccc2N(CCCl)CCCl)c2cc(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 2/20 0.42
GNB1 P62873 2/20 0.42
MEN1 O00255 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
ATM Q13315 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
SCHEMBL4943382 0.94 GNG2 (0.40) GNG2GNB1MEN1MMP1MMP9
SCHEMBL4912687 0.90 GNG2 (0.43) GNG2GNB1MEN1MMP1MMP9
SCHEMBL4909318 0.85 PLA2G2A (0.49) MEN1KMT2AMAPT
SCHEMBL4910059 0.84 GNG2 (0.40) GNG2GNB1MEN1MMP1MMP9
SCHEMBL4902959 0.83 MAPT (0.45) MEN1KMT2AGAAMAPT
SCHEMBL4911269 0.82 IGF1R (0.40) GNG2GNB1MEN1MMP1MMP9
SCHEMBL4909242 0.81 PLA2G2A (0.42) MEN1KMT2AMAPT
SCHEMBL4910557 0.81 GRM2 (0.36) MEN1KMT2AMAPT
SCHEMBL4906265 0.81 GRM2 (0.38) MEN1KMT2AMAPT
SCHEMBL4911275 0.80 KMT2A (0.44) MEN1KMT2AMAPT

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 GNG2 2802/4885GNB1 2034/4885MEN1 4701/4885

“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.