SCHEMBL4909254

SCHEMBL4909254

O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2c(Cl)cccc2Cl)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.52
S1PR1 P21453 1/20 0.47
OPRD1 P41143 1/20 0.47
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
CNR1 P21554 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
LMNA P02545 1/20 0.40
CSF1R P07333 1/20 0.40

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
SCHEMBL4908693 0.92 MAPT (0.46) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4906371 0.90 IGF1R (0.52) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4912295 0.89 IGF1R (0.48) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4903072 0.88 IGF1R (0.54) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4914944 0.88 IGF1R (0.53) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911479 0.87 KMT2A (0.55) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4915694 0.87 IGF1R (0.53) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911356 0.87 IGF1R (0.55) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911277 0.86 IGF1R (0.60) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911351 0.86 MEN1 (0.55) IGF1RS1PR1OPRD1HTR2CHTR2B

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 3991/4885S1PR1 4877/4885OPRD1 3621/4885

“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.