SCHEMBL537523

SCHEMBL537523

Oc1cc(C(F)(F)F)nn1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 1/20 0.42
OXTR P30559 2/20 0.40
AVPR1A P37288 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RAB9A P51151 1/20 0.37
CRACR2A Q9BSW2 1/20 0.37
GAA P10253 1/20 0.37
NR3C2 P08235 1/20 0.37

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
SCHEMBL16768793 0.84 MAPK14 (0.49) TGFBR1ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL12075249 0.83 KDM4E (0.58) TGFBR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL31546279 0.81 MAPT (0.50) TGFBR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6343666 0.81 KDM4E (0.50) TGFBR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL12911934 0.81 MAPT (0.50) TGFBR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL12832527 0.81 KDM4E (0.43) TGFBR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL537457 0.80 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL950444 0.80 KLKB1 (0.52) TGFBR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7405167 0.79 IRAK4 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL14562251 0.79 PTGS1 (0.66) PTGS1PTGS2NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990336-B1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-02-08 EP disclosed
US-7812175-B2 Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-12 US disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2009-02-05 US disclosed
EP-1990336-A1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2008-11-12 EP disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
WO-2007084868-A2 TREATMENT OF DISORDERS BY ACTIVATION OF THE UNFOLDED PROTEIN RESPONSE KALYPSYS, INC. (US) 2007-07-26 WO disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 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 (2 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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 TGFBR1 2693/4885KDM4E 118/4885ALDH1A1 175/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 TGFBR1 2231/4885KDM4E 695/4885ALDH1A1 168/4885

“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.