SCHEMBL4910557

SCHEMBL4910557

NNC(=O)Nc1ccc(N(CCCl)CCCl)c(-c2cc(-c3cc(F)ccc3F)nc3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TGFBR1 P36897 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACP1 P24666 2/20 0.34
TACR3 P29371 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
NPC1 O15118 1/20 0.33
CNR1 P21554 1/20 0.33
IGF1R P08069 1/20 0.33
HCRTR1 O43613 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4906265 0.93 GRM2 (0.38) GRM2MEN1KMT2AMAPTHTT
SCHEMBL4914080 0.92 TACR3 (0.41) GRM2MEN1KMT2AMAPTHTT
SCHEMBL4911275 0.90 KMT2A (0.44) GRM2MEN1KMT2AMAPTHTT
SCHEMBL4905045 0.88 TOP1 (0.38) GRM2MEN1KMT2AMAPTHTT
SCHEMBL4910503 0.88 ABCG2 (0.40) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL4906235 0.88 KMT2A (0.35) GRM2MEN1KMT2AMAPTHTT
SCHEMBL4911104 0.88 KMT2A (0.38) GRM2MEN1KMT2AMAPTHTT
SCHEMBL4909862 0.87 MAPT (0.42) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL4908802 0.86 MEN1 (0.42) GRM2MEN1KMT2AMAPTHTT
SCHEMBL4911329 0.86 MEN1 (0.46) MEN1KMT2AMAPTHTTALDH1A1

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 GRM2 3669/4885MEN1 4701/4885KMT2A 876/4885

“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.