SCHEMBL4934776

SCHEMBL4934776

O=[N+]([O-])c1ccc(Oc2ccnc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 1/20 0.53
KDR P35968 5/20 0.53
PDGFRA P16234 3/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BRAF P15056 1/20 0.45
MAPK14 Q16539 1/20 0.45
TNNI3K Q59H18 1/20 0.45

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
SCHEMBL4364077 0.82 POLB (0.48) HTTLMNARAB9AKDRPDGFRA
SCHEMBL12410460 0.82 HSPB1 (0.51) HTTLMNARAB9AMEN1KMT2A
SCHEMBL15537365 0.81 KDR (0.63) KDRPDGFRAHIF1A
SCHEMBL22749989 0.81 PDGFRA (0.54) HTTLMNARAB9AKDRPDGFRA
SCHEMBL7461377 0.81 PDGFRA (0.54) HTTLMNAKDRPDGFRAMAPT
SCHEMBL29453859 0.81 PDGFRA (0.54) HTTLMNARAB9AKDRPDGFRA
SCHEMBL12004509 0.81 PDGFRA (0.57) HTTLMNARAB9AKDRPDGFRA
SCHEMBL12003929 0.81 CTSV (0.50) LMNARAB9AKDRPDGFRAMEN1
SCHEMBL16376899 0.80 HSPB1 (0.52) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL1897179 0.80 ERBB2 (0.55) HTTLMNAKDRKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
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-9186318-B2 Quinolyl-containing hydroxamic acid compound and preparation method thereof, and pharmaceutical composition containing this compound and use thereof BEIJING KONRUNS PHARMACEUTICAL CO., LTD (CN) 2015-11-17 US disclosed
US-20140221425-A1 Quinolyl-containing Hydroxamic Acid Compound and Preparation Method Thereof, and Pharmaceutical Composition Containing This Compound and Use Thereof BEIJING KONRUNS PHARMACEUTICAL CO., LTD. (CN) 2014-08-07 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 (4 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 HTT 515/4885LMNA 1399/4885RAB9A 4310/4885
US-20140221425-A1 Quinolyl-containing Hydroxamic Acid Compound and Preparation Method Thereof, and Pharmaceutical Composition Containing This Compound and Use Thereof HDAC5, HDAC1, HDAC7 HTT 978/4885LMNA 1306/4885RAB9A 1639/4885
US-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX HTT 1724/4885LMNA 2600/4885RAB9A 2620/4885
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 HTT 861/4885LMNA 2316/4885RAB9A 4070/4885

“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.