SCHEMBL4905071

SCHEMBL4905071

CNC(=O)c1cccc2c(Nc3ccc(OC)c(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c3cccc(OC)c3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
RUVBL1 Q9Y265 1/20 0.40
PIM1 P11309 1/20 0.39
FLT3 P36888 1/20 0.39
BAD Q92934 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PYGL P06737 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
IDO1 P14902 1/20 0.38
RAF1 P04049 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
CNR1 P21554 1/20 0.37
CSF1R P07333 2/20 0.37
MAPT P10636 3/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 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
SCHEMBL4912172 0.94 PIM1 (0.40) KDM1ARUVBL1PIM1FLT3BAD
SCHEMBL4912997 0.94 RUVBL1 (0.39) KDM1ARUVBL1PIM1FLT3BAD
SCHEMBL4909277 0.92 IDO1 (0.44) KDM1ARUVBL1MEN1KMT2AIDO1
SCHEMBL4912639 0.91 KDM1A (0.38) KDM1APIM1FLT3BADPIM2
SCHEMBL4912138 0.90 ABL1 (0.43) PIM1FLT3BADPIM2KDR
SCHEMBL4911417 0.90 KDR (0.41) KDM1APIM1FLT3BADPIM2
SCHEMBL4935599 0.89 EGFR (0.40) KDM1APIM1FLT3BADPIM2
SCHEMBL4912713 0.89 KDM1A (0.40) KDM1APIM1FLT3BADPIM2
SCHEMBL4909247 0.88 ABL1 (0.38) PIM1FLT3BADPIM2PYGL
SCHEMBL4916201 0.88 KDM1A (0.55) KDM1AMEN1KMT2AMAPTPARP1

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 722/4885RUVBL1 2389/4885PIM1 1698/4885

“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.