SCHEMBL4911280

SCHEMBL4911280

O=C(NNc1cc(-c2ccccc2F)nc2ccccc12)Nc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.44
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
IGF1R P08069 3/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ACP1 P24666 4/20 0.39
CYP3A4 P08684 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4906245 0.92 MAPT (0.42) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4910558 0.92 MAPT (0.44) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4915715 0.92 IGF1R (0.48) MAPTEGFRERBB2MEN1KMT2A
SCHEMBL4906269 0.91 MAPT (0.46) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4911336 0.90 MEN1 (0.49) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4910632 0.89 MAPT (0.42) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4907206 0.89 MEN1 (0.42) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4909868 0.88 CYP3A4 (0.48) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4910374 0.87 ACP1 (0.44) MAPTNPSR1GAAEGFRERBB2
SCHEMBL4908813 0.86 MAPT (0.49) MAPTNPSR1GAAEGFRERBB2

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 MAPT 3066/4885NPSR1 4536/4885GAA 434/4885

“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.