SCHEMBL4911204

SCHEMBL4911204

COc1ccc(N)c(Nc2cccc3nc4ccccc4cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
PTBP1 P26599 1/20 0.49
RCE1 Q9Y256 1/20 0.49
TSHR P16473 2/20 0.47
PTPN11 Q06124 1/20 0.47
TP53 P04637 1/20 0.47
NQO2 P16083 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM1A O60341 4/20 0.43
RAD52 P43351 1/20 0.43

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
SCHEMBL4912419 0.82 POLB (0.55) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL4928158 0.82 KMT2A (0.73) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL4912430 0.80 POLB (0.51) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL9415823 0.79 KDM4E (0.58) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL4911184 0.78 KMT2A (0.50) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL27517531 0.74 SLC2A1 (0.59) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL15256356 0.74 PIK3CG (0.48) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL2817959 0.73 GAA (0.63) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL28998071 0.73 ALDH1A1 (0.60) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL9406609 0.73 ALDH1A1 (0.60) KMT2AMEN1RAB9ANPC1LMNA

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 KMT2A 876/4885MEN1 4701/4885RAB9A 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.