SCHEMBL4912419

SCHEMBL4912419

COc1c(N)cccc1Nc1cccc2nc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 3/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
HPGD P15428 1/20 0.55
PTBP1 P26599 1/20 0.55
RCE1 Q9Y256 1/20 0.55
KDM1A O60341 4/20 0.44
TLR8 Q9NR97 1/20 0.42
RAD52 P43351 1/20 0.42
PTPN11 Q06124 1/20 0.38
MEN1 O00255 2/20 0.38
NCF1 P14598 1/20 0.38
MAPT P10636 1/20 0.38
GAK O14976 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
SCHEMBL4911204 0.82 KMT2A (0.50) POLBKMT2ARAB9AGAANPC1
SCHEMBL4912430 0.82 POLB (0.51) POLBKMT2ARAB9AGAANPC1
SCHEMBL9415823 0.81 KDM4E (0.58) POLBKMT2ARAB9AGAANPC1
SCHEMBL4911184 0.80 KMT2A (0.50) POLBKMT2ARAB9AGAANPC1
SCHEMBL27517531 0.76 SLC2A1 (0.59) POLBKMT2ARAB9AGAANPC1
SCHEMBL4939236 0.74 ALDH1A1 (0.61) POLBKMT2ARAB9AGAANPC1
SCHEMBL167452 0.73 ALDH1A1 (1.00) POLBKMT2ARAB9AGAANPC1
SCHEMBL29863459 0.73 ALDH1A1 (1.00) POLBKMT2ARAB9AGAANPC1
Hydrochloric Acid SCHEMBL15673453 0.72 ALDH1A1 (0.59) POLBKMT2ARAB9AGAANPC1
SCHEMBL6679710 0.72 ALDH1A1 (0.55) POLBKMT2ARAB9AGAANPC1

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 POLB 150/4885KMT2A 876/4885RAB9A 4310/4885

“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.