SCHEMBL6932064

SCHEMBL6932064

Nc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 2/20 0.53
PKM P14618 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
APEX1 P27695 1/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SNCA P37840 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 2/20 0.43
PTGS1 P23219 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
Acetic Acid SCHEMBL28348291 0.93 MAPT (0.52) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL15267699 0.89 KMT2A (0.60) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL11203302 0.84 MAPT (0.55) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL15197080 0.83 MAPT (0.64) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL11717080 0.81 MAPT (0.61) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL11717085 0.81 MAPT (0.61) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL1039601 0.81 KMT2A (0.76) RAB9AMEN1KMT2ALMNATDP1
SCHEMBL7888049 0.81 CYP1A1 (0.60) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL6934242 0.81 RAB9A (0.61) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL4548528 0.80 TPSAB1 (0.48) MEN1KMT2APOLBGAAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859000-B1 Isoxazole amide and crotonamid derivatives and drug and diagnostic uses thereof AVENTIS PHARMA GMBH (DE) 2003-01-22 EP claimed
US-5977151-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 US claimed
WO-2018068357-A1 NOVEL SIRT2 PROTEIN INHIBITOR AND PHARMACEUTICAL USE THEREOF 西华大学 2018-04-19 WO disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-6265588-B1 USE AS PHARMACEUTICALS; AS AN ANTIGEN FOR PRODUCTION OF ANTIBODIES AND IN DIAGNOSIS AND PURIFICATION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-24 US disclosed
US-6121479-A ANTIINFLAMMATORY AND ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
US-5977151-A ANTITUMOR HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
US-4080321-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-21 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP MAPT 2912/4885RAB9A 1822/4885MEN1 4552/4885

“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.