SCHEMBL4902918

SCHEMBL4902918

CNC(=O)c1cccc2c(Nc3cc(C)cc(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)c3)c3cccc(OC)c3nc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
BAD Q92934 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
PARP1 P09874 2/20 0.34
ADORA2A P29274 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL4910521 0.93 TOP2A (0.37) KDM1APIM1FLT3BADPIM2
SCHEMBL4909678 0.93 KDM1A (0.35) KDM1APIM1FLT3BADPIM2
SCHEMBL4909340 0.91 MTNR1A (0.36) KDM1APIM1FLT3BADPIM2
SCHEMBL4912713 0.91 KDM1A (0.40) KDM1APIM1FLT3BADPIM2
SCHEMBL4912292 0.91 RAD52 (0.44) KDM1AMAPT
SCHEMBL4938439 0.90 TOP2A (0.41) KDM1AEGFRERBB2PARP1MAPT
SCHEMBL4912187 0.89 KDM1A (0.49) KDM1APARP1
SCHEMBL4910335 0.88 ABL1 (0.40) PIM1FLT3BADPIM2MAPT
SCHEMBL4912156 0.88 PIM1 (0.39) KDM1APIM1FLT3BADPIM2
SCHEMBL4913162 0.88 PIM1 (0.38) KDM1APIM1FLT3BADPIM2

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 KDM1A 722/4885PIM1 1698/4885FLT3 1050/4885

“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.