SCHEMBL4928158

SCHEMBL4928158

COc1ccc(N)c(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.73
MEN1 O00255 4/20 0.73
KDM1A O60341 7/20 0.61
POLB P06746 4/20 0.61
GFER P55789 2/20 0.61
RAD52 P43351 2/20 0.61
NPC1 O15118 4/20 0.53
TP53 P04637 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 3/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
TOP2B Q02880 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NQO2 P16083 1/20 0.47
SLC22A1 O15245 1/20 0.47
ABCC4 O15439 1/20 0.47
NR1I2 O75469 1/20 0.47

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) KMT2AMEN1KDM1APOLBGFER
SCHEMBL7560567 0.78 KDM1A (0.66) KMT2AMEN1KDM1APOLBGFER
SCHEMBL15256356 0.78 PIK3CG (0.48) KMT2AMEN1POLBNPC1TP53
SCHEMBL2817959 0.77 GAA (0.63) KMT2AMEN1GFERNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL22716096 0.77 KMT2A (0.67) KMT2AMEN1KDM1APOLBGFER
SCHEMBL17423377 0.77 KDM1A (0.64) KMT2AMEN1KDM1APOLBSMN1; SMN2
SCHEMBL13889178 0.76 KDM1A (1.00) KMT2AMEN1KDM1APOLBGFER
SCHEMBL9594846 0.76 KMT2A (0.62) KMT2AMEN1KDM1APOLBGFER
SCHEMBL27417079 0.75 KMT2A (0.70) KMT2AMEN1KDM1APOLBGFER
SCHEMBL13529531 0.75 POLB (0.69) KMT2AMEN1KDM1APOLBGFER

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
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 (2 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 4701/4885KDM1A 722/4885
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG KMT2A 257/4885MEN1 3722/4885KDM1A 995/4885

“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.