SCHEMBL19086797

SCHEMBL19086797

O=C(NC1CCNCC1)C(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.59
POLB P06746 1/20 0.53
EPHX2 P34913 1/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
SMYD3 Q9H7B4 4/20 0.41
PKM P14618 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 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
SCHEMBL255421 0.79 EPHX1 (0.59) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL28478523 0.78 EPHX1 (0.56) EPHX1EPHX2
SCHEMBL28895020 0.78 EPHX1 (0.57) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL25038645 0.77 EPHX1 (0.42) EPHX1EPHX2SIGMAR1
SCHEMBL1802727 0.76 EPHX1 (0.55) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL5142091 0.75 EPHX1 (1.00) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL21730449 0.75 EPHX1 (0.53) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL11007528 0.75 EPHX1 (0.53) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL6473835 0.75 EPHX1 (0.61) EPHX1POLBEPHX2GNAI3GNAO1
SCHEMBL6240940 0.75 EPHX1 (0.44) EPHX1POLBEPHX2GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190116-B1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO LTD (JP) 2020-08-05 EP disclosed
US-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 US disclosed
CN-107108653-B Pyrazolothiazole compound and medicine 日本新药株式会社 2019-04-09 CN disclosed
US-9999622-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-06-19 US disclosed
US-9937176-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-04-10 US disclosed
US-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2018-04-05 US disclosed
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2017-09-07 US disclosed
CN-107108653-A Pyrazolothiazole compound and medicine 日本新药株式会社 2017-08-29 CN disclosed
EP-3190116-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2017-07-12 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 (3 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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 EPHX1 1831/4885POLB 4561/4885EPHX2 1187/4885
US-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 EPHX1 2636/4885POLB 3124/4885EPHX2 3598/4885
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 EPHX1 2636/4885POLB 3124/4885EPHX2 3598/4885

“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.