SCHEMBL3252001

SCHEMBL3252001

Clc1ccccc1-c1cc[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.55
LDHA P00338 1/20 0.48
ALPL P05186 2/20 0.45
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CYP2A6 P11509 1/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL9563030 0.84 IDO1 (0.56) IDO1NOTUMCYP2D6
SCHEMBL13710416 0.81 SCN9A (0.48) IDO1LDHAALPLCYP2A6HPGD
SCHEMBL16964003 0.78 KDM4E (0.49) IDO1HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL11624658 0.77 IDO1 (0.35) IDO1HSP90AA1HSP90AB1CYP2A6SMN1; SMN2
SCHEMBL3846339 0.76 ALPL (0.49) IDO1ALPLHSP90AA1HSP90AB1KMT2A
SCHEMBL30589021 0.76 NISCH (0.42) ALPLHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL27596511 0.76 NISCH (0.42) ALPLHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL11624239 0.76 IDO1 (0.56) IDO1ALPLHPGDSMN1; SMN2KMT2A
SCHEMBL674356 0.76 NISCH (0.42) ALPLHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL1176838 0.75 METAP2 (0.30)

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833477-B1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2010-06-02 EP claimed
CN-101076333-A Pyrazolo-heteroaryl compounds useful to treat TNF-alpha and IL-1 mediated diseases NOVARTIS AG (CH) 2007-11-21 CN claimed
CN-112079780-A Bipyrazole compound and preparation method thereof 怀化学院 2020-12-15 CN disclosed
CN-109438354-A A kind of preparation method of high-purity pyraclostrobin 新沂市永诚化工有限公司 2019-03-08 CN disclosed
CN-106117143-B A kind of preparation method of pyraclostrobin 青岛瀚生生物科技股份有限公司 2019-01-08 CN disclosed
EP-2793880-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
WO-2005121107-A1 PYRAZOLO PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
CN-1050834-C Fungicidal compositions for protecting plants against fungal diseases and uses thereof RHONE POULENC AGROCHIMIE (FR) 2000-03-29 CN disclosed
US-5663119-A FOR USE IN AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-09-02 US disclosed
CN-1131151-A Method for preparation of 3-phenyl pyrazole derivant RHONE POULENC AGROCHIMIE (FR) 1996-09-18 CN disclosed
US-5523280-A TREATING PLANT DISEASES RHONE-POULENC AGROCHIMIE (FR) 1996-06-04 US disclosed
EP-0538156-A1 Fungicidal phenylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1993-04-21 EP disclosed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 IDO1 2374/4885LDHA 3580/4885ALPL 3705/4885

“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.