SCHEMBL6812754

SCHEMBL6812754

Clc1ccc(-c2c[nH]cn2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
HSD11B1 P28845 2/20 0.44
ALPL P05186 4/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AHR P35869 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40

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
SCHEMBL6706693 0.85 IDO1 (0.50) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27747961 0.80 HSP90AB1 (0.52) HSP90AA1HSP90AB1LMNAMAPTKMT2A
SCHEMBL30697682 0.77 IDO1 (0.48) HSP90AA1HSP90AB1HSD11B1ALPLLMNA
SCHEMBL27318149 0.76 AHR (0.39) ALPLAHRMAPK1IDO1
SCHEMBL12676682 0.75 NR4A2 (0.50) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL26259398 0.74 MEN1 (0.33) KMT2AMEN1SMN1; SMN2
SCHEMBL1951907 0.74 SLC6A4 (0.45) LMNAMAPTSMN1; SMN2
SCHEMBL44172 0.72 METAP2 (0.44) ALPLMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL19628762 0.72 CCR1 (0.36) MAPTALDH1A1
SCHEMBL10901074 0.70 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSD11B1ALPLLMNA

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
US-20040186151-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-23 US disclosed
US-6358885-B1 PREEMERGENT OR POSTEMERGENT HERBICIDES OR PLANT GROWTH REGULANTS MISSISSIPPI STATE UNIVERSITY 2002-03-19 US disclosed
US-5977028-A Substituted phenylheterocyclic herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
EP-0626962-B1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES DU PONT (US) 1999-03-17 EP disclosed
US-5670455-A Substituted phenylheterocyclic herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-23 US disclosed
EP-0626962-A1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-07 EP disclosed
WO-1993015074-A1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-05 WO disclosed
US-5045557-A Imidazable fungicides and use thereof SCHERING AGROCHEMICALS LTD. (GB) 1991-09-03 US disclosed
EP-0284277-A1 Cyanoimidazole fungicides AgrEvo UK Limited (GB) 1988-09-28 EP 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-20040186151-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ HSP90AA1 2523/4885HSP90AB1 2056/4885HSD11B1 559/4885

“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.