SCHEMBL16028136

SCHEMBL16028136

COC(=O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 4/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NOTUM Q6P988 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16028029 0.92 MAPT (0.44) SMN1; SMN2HTTLMNAMAPTALDH1A1
SCHEMBL28703053 0.88 MAPT (0.39) MAPTALDH1A1L3MBTL1CA1CA2
SCHEMBL1260336 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL19503068 0.86 MAPKAPK2 (0.43) ALDH1A1KDRPOLBKMT2A
SCHEMBL17420828 0.86 POLB (0.33) LMNAMAPTABCG2POLB
SCHEMBL1261441 0.86 ABCG2 (0.43) SMN1; SMN2LMNAMAPTABCG2
SCHEMBL16029942 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNAMAPTABCG2
SCHEMBL29559392 0.85 KMT2A (0.42) MAPTALDH1A1FGFR1L3MBTL1CA1
SCHEMBL17426976 0.85 POLB (0.40) SMN1; SMN2MAPTALDH1A1PKML3MBTL1
SCHEMBL22897582 0.85 KMT2A (0.42) MAPTALDH1A1FGFR1L3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014163934-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2014-10-09 WO claimed
US-9604942-B2 Preparation of haloalkoxyarylhydrazines and intermediates therefrom DOW AGROSCIENCES LLC (US) 2017-03-28 US disclosed
US-9604942-B2 Preparation of haloalkoxyarylhydrazines and intermediates therefrom DOW AGROSCIENCES LLC (US) 2017-03-28 US disclosed
US-9376401-B2 Preparation of 1,3-(substituted-diaryl)-1,2,4-triazoles and intermediates therefrom DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
US-9376401-B2 Preparation of 1,3-(substituted-diaryl)-1,2,4-triazoles and intermediates therefrom DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
US-9376401-B2 Preparation of 1,3-(substituted-diaryl)-1,2,4-triazoles and intermediates therefrom DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
US-20150259303-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM CORTEVA AGRISCIENCE LLC 2015-09-17 US disclosed
US-20150259303-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM CORTEVA AGRISCIENCE LLC 2015-09-17 US disclosed
US-9108932-B2 Preparation of haloalkoxyarylhydrazines and intermediates therefrom DOW AGROSCIENCES LLC (US) 2015-08-18 US disclosed
US-9108932-B2 Preparation of haloalkoxyarylhydrazines and intermediates therefrom DOW AGROSCIENCES LLC (US) 2015-08-18 US disclosed
US-20140275559-A1 PREPARATION OF CERTAIN (SUBSTITUTED-PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275556-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275561-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275561-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275559-A1 PREPARATION OF CERTAIN (SUBSTITUTED-PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275556-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275556-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275562-A1 PREPARATION OF CERTAIN (SUBSTITUTED PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275558-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275558-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM DOW AGROSCIENCES LLC (US) 2014-09-18 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 (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-20140275558-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM NOTUM, WEE1, DDT SMN1; SMN2 4881/4885HTT 728/4885LMNA 2492/4885
US-20140275562-A1 PREPARATION OF CERTAIN (SUBSTITUTED PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DDT, FARS2, CYP4X1 SMN1; SMN2 3849/4885HTT 3234/4885LMNA 1794/4885
US-20140275559-A1 PREPARATION OF CERTAIN (SUBSTITUTED-PHENYL)-TRIAZOLYL-(SUBSTITUTED PHENYL) MOLECULES, AND INTERMEDIATES AND INSECTICIDES RELATED THERETO DDT, FARS2, CYP4X1 SMN1; SMN2 3742/4885HTT 3618/4885LMNA 1515/4885
US-20150259303-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM NOTUM, WEE1, DDT SMN1; SMN2 4884/4885HTT 450/4885LMNA 2681/4885
US-20140275561-A1 PREPARATION OF HALOALKOXYARYLHYDRAZINES AND INTERMEDIATES THEREFROM NOTUM, WEE1, DDT SMN1; SMN2 4884/4885HTT 450/4885LMNA 2681/4885
US-20140275556-A1 PREPARATION OF 1,3-(SUBSTITUTED-DIARYL)-1,2,4-TRIAZOLES AND INTERMEDIATES THEREFROM DDT, CYP51A1, WEE1 SMN1; SMN2 4722/4885HTT 1731/4885LMNA 2524/4885

“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.