SCHEMBL8359254

SCHEMBL8359254

COc1ccc(NNCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
RAB9A P51151 4/20 0.58
GAA P10253 3/20 0.58
NPC1 O15118 3/20 0.58
KDM4E B2RXH2 1/20 0.58
THRB P10828 1/20 0.58
MAPK1 P28482 1/20 0.58
RECQL P46063 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
NR4A1 P22736 1/20 0.48
PTGS2 P35354 3/20 0.47

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
Water SCHEMBL10563582 0.98 GAA (0.56) MAPTRAB9AGAANPC1KDM4E
Hydrochloric Acid SCHEMBL28375387 0.98 MAPT (0.56) MAPTRAB9AGAANPC1KDM4E
Bromide SCHEMBL28373773 0.98 MAPT (0.56) MAPTRAB9AGAANPC1KDM4E
Phosphoric Acid SCHEMBL28378538 0.88 PTGS2 (0.51) MAPTRAB9AGAANPC1KDM4E
Sulfuric Acid SCHEMBL28375422 0.88 CA1 (0.50) MAPTRAB9AGAANPC1KDM4E
Oxalic Acid SCHEMBL28374763 0.88 PTGS2 (0.54) MAPTRAB9AGAANPC1KDM4E
SCHEMBL851498 0.85 RAB9A (0.70) MAPTRAB9AGAANPC1KDM4E
SCHEMBL578030 0.80 MAPT (0.64) MAPTRAB9AGAANPC1KDM4E
SCHEMBL903659 0.78 RAB9A (0.61) MAPTRAB9AGAANPC1KDM4E
Hydrochloric Acid SCHEMBL6232337 0.76 GAA (0.58) MAPTRAB9AGAANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-08 US disclosed
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
US-9643169-B1 Process for the preparation of quinoline based ionic fluoride salts (QUFS) HAMEED ABDUL (PK) 2017-05-09 US disclosed
WO-2016187667-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2016-12-01 WO disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 WO disclosed
US-7981896-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-05-12 US disclosed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US disclosed
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2009-10-15 US disclosed
WO-2008137087-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2008-11-13 WO disclosed
US-20080146644-A1 Tricyclic Cytoprotective Compounds HUNTER-FLEMING LIMITED (GB) 2008-06-19 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 US disclosed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed
WO-2003049681-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO [3,4-C] PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO 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 (8 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-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES F2, TFPI, TFPI2 MAPT 4525/4885RAB9A 3304/4885GAA 2410/4885
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL MAPT 2939/4885RAB9A 1593/4885GAA 2663/4885
US-20080146644-A1 Tricyclic Cytoprotective Compounds HCRTR1, CDR2, MSR1 MAPT 4171/4885RAB9A 3180/4885GAA 2420/4885
US-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 MAPT 2167/4885RAB9A 3741/4885GAA 2057/4885
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 MAPT 1168/4885RAB9A 3537/4885GAA 1677/4885
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS GPR119, HCRTR2, HCRTR1 MAPT 168/4885RAB9A 1889/4885GAA 868/4885
US-20090259043-A1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HCRTR1, CDR2, MSR1 MAPT 4171/4885RAB9A 3180/4885GAA 2420/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 MAPT 414/4885RAB9A 2112/4885GAA 1144/4885

“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.