SCHEMBL4928153

SCHEMBL4928153

COc1ccc(N)cc1Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.73
MEN1 O00255 7/20 0.73
POLB P06746 5/20 0.69
RAD52 P43351 3/20 0.57
TOP2B Q02880 2/20 0.55
KDM1A O60341 4/20 0.54
TP53 P04637 4/20 0.53
NPC1 O15118 3/20 0.53
GLA P06280 2/20 0.53
TSHR P16473 2/20 0.53
SLC22A1 O15245 1/20 0.53
ABCC4 O15439 1/20 0.53
NR1I2 O75469 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CHRM1 P11229 1/20 0.53
TOP1 P11387 1/20 0.53
TOP2A P11388 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL13529531 0.89 POLB (0.69) KMT2AMEN1POLBRAD52TOP2B
SCHEMBL4911184 0.82 KMT2A (0.50) KMT2AMEN1POLBRAD52TP53
SCHEMBL4906421 0.81 KDM1A (0.58) KMT2AMEN1POLBTOP2BKDM1A
Hydrochloric Acid SCHEMBL6883145 0.80 KDM1A (0.56) KMT2AMEN1POLBRAD52TOP2B
SCHEMBL17154387 0.78 KDM1A (0.71) KMT2AMEN1POLBRAD52TOP2B
SCHEMBL8024114 0.77 MAPT (0.65) KMT2AMEN1POLBTP53TSHR
SCHEMBL17154467 0.75 KDM1A (0.58) KMT2AMEN1POLBRAD52TOP2B
SCHEMBL17154445 0.75 KMT2A (0.54) KMT2AMEN1POLBRAD52TOP2B
SCHEMBL4928158 0.75 KMT2A (0.73) KMT2AMEN1POLBRAD52TOP2B
SCHEMBL13456078 0.75 POLB (0.50) KMT2AMEN1POLBRAD52TOP2B

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 4701/4885POLB 150/4885
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 3722/4885POLB 65/4885

“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.