SCHEMBL537761

SCHEMBL537761

Oc1cc(C(F)(F)F)nn1-c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
TP53 P04637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CG P48736 1/20 0.39
DUSP3 P51452 1/20 0.38

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
SCHEMBL3643593 0.77 MAPK1 (0.55) MAPK1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7330567 0.75 PTGS1 (0.63) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL537395 0.73 PTGS1 (0.65) MEN1KMT2ASMN1; SMN2MAPTTP53
SCHEMBL7399245 0.72 CNR2 (0.42) MAPK1KMT2AMAPTRAB9ANPC1
SCHEMBL19607879 0.70 MAPK1 (0.54) MAPK1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4888842 0.70 TP53 (0.47) MAPK1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29808337 0.70 MAPK1 (0.54) MAPK1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL537351 0.70 PDPK1 (0.50) SMN1; SMN2RAB9AALDH1A1PTGS1
SCHEMBL19607777 0.69 KDM4E (0.56) MAPK1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL21011088 0.69 MAPK1 (0.46) MAPK1MEN1KMT2ASMN1; SMN2MAPT

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 7 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
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 MAPK1 3716/4885MEN1 3184/4885KMT2A 841/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 MAPK1 2702/4885MEN1 4454/4885KMT2A 1779/4885

“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.