SCHEMBL940746

SCHEMBL940746

CC(C)(C)n1nc(C(F)(F)F)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
PTGS1 P23219 3/20 0.32
ATM Q13315 1/20 0.31
PTGS2 P35354 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
RAB9A P51151 2/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21305805 0.83 GRN (0.40) KDM4ELMNAATML3MBTL1ALDH1A1
SCHEMBL27668795 0.83 LMNA (0.33) KDM4ELMNAPTGS1PTGS2KLKB1
SCHEMBL28013469 0.78 TGFBR1 (0.34) TGFBR1KDM4ELMNAPTGS1ATM
SCHEMBL21721086 0.78 KDM4E (0.36) TGFBR1KDM4ELMNAPTGS1PTGS2
SCHEMBL13698759 0.78 KDM4E (0.38) TGFBR1KDM4ELMNAPTGS1PTGS2
SCHEMBL9892426 0.78 KDM4E (0.40) TGFBR1KDM4ELMNARAB9ATP53
SCHEMBL21720880 0.76 KDM4E (0.35) TGFBR1KDM4ELMNAPTGS1PTGS2
SCHEMBL21720871 0.76 PTGS2 (0.37) TGFBR1KDM4ELMNAPTGS1PTGS2
SCHEMBL13698758 0.76 KDM4E (0.35) TGFBR1KDM4ELMNAPTGS1PTGS2
SCHEMBL17045543 0.76 HSP90AA1 (0.37) TGFBR1KDM4ELMNAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767528-B1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2014-09-17 EP disclosed
EP-1541561-B1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2014-07-23 EP disclosed
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
EP-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
US-7833939-B2 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-16 US disclosed
EP-1405853-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-03 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
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP 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
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 EP disclosed
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 US disclosed
US-20050215797-A1 Pyrazole derivatives and process for the production thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-09-29 US disclosed
EP-1541561-A1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-06-15 EP disclosed
US-20040259734-A1 Izoxazoline derivative and herbicide IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-23 US disclosed
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-06-10 US disclosed
EP-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1364946-A1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-11-26 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 (6 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-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 TGFBR1 1106/4885KDM4E 1984/4885LMNA 4600/4885
US-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 TGFBR1 2693/4885KDM4E 118/4885LMNA 1693/4885
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 TGFBR1 2231/4885KDM4E 695/4885LMNA 4841/4885
US-20040259734-A1 Izoxazoline derivative and herbicide HCN4, HDHD5, KCNJ1 TGFBR1 1823/4885KDM4E 1164/4885LMNA 4793/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 TGFBR1 862/4885KDM4E 1263/4885LMNA 4724/4885
US-20050215797-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 TGFBR1 1600/4885KDM4E 3841/4885LMNA 4215/4885

“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.