SCHEMBL4907465

SCHEMBL4907465

COc1cccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
ACP1 P24666 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 3/20 0.47
ALOX12 P18054 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
TACR3 P29371 1/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4910173 0.93 KDM4E (0.50) IGF1RMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL4905092 0.93 IGF1R (0.55) IGF1RMEN1KMT2AACP1CYP3A4
SCHEMBL4905104 0.91 IGF1R (0.60) IGF1RMEN1KMT2AACP1CYP3A4
SCHEMBL15097276 0.91 MAPT (0.46) IGF1RMEN1KMT2AALDH1A1MAPT
SCHEMBL4908277 0.90 MAPT (0.46) IGF1RMEN1KMT2AABCB1ABCG2
SCHEMBL4914944 0.89 IGF1R (0.53) IGF1RMEN1KMT2AABCB1ABCG2
SCHEMBL4909854 0.88 MEN1 (0.50) IGF1RMEN1KMT2AABCB1ABCG2
SCHEMBL4912698 0.88 KDM4E (0.54) IGF1RMEN1KMT2AALDH1A1MAPT
SCHEMBL4915694 0.87 IGF1R (0.53) IGF1RMEN1KMT2AACP1ALDH1A1
SCHEMBL4910112 0.86 ABCG2 (0.47) IGF1RMEN1KMT2AABCB1ABCG2

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 3991/4885MEN1 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.