SCHEMBL9836083

SCHEMBL9836083

Cc1cccc(N(F)C(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PAX8 Q06710 2/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B1 P14061 5/20 0.43
HSD17B2 P37059 5/20 0.43
TP53 P04637 1/20 0.42
GPX4 P36969 1/20 0.42
ACHE P22303 2/20 0.42
RECQL P46063 1/20 0.40
PARP1 P09874 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL20560243 0.81 ACHE (0.42) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL1118787 0.81 NPC1 (0.46) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL9956212 0.79 HSD17B1 (0.55) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL9835069 0.79 NPC1 (0.45) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL30937218 0.79 HSD17B1 (0.55) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL20560304 0.78 SCN2A (0.38) ALDH1A1
SCHEMBL9835557 0.77 MTNR1A (0.48) RAB9ANPC1ALDH1A1HSD17B1HSD17B2
SCHEMBL1118586 0.76 RAB9A (0.50) RAB9ANPC1ALDH1A1PAX8JAK2
SCHEMBL20560331 0.76 ALDH1A1 (0.41) RAB9AALDH1A1HTTLMNAMEN1
SCHEMBL9835938 0.75 CES2 (0.49) RAB9AALDH1A1HTTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 EP disclosed
CN-108698982-A FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF 日产化学工业株式会社 2018-10-23 CN disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 RAB9A 43/4885NPC1 46/4885ALDH1A1 982/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 RAB9A 43/4885NPC1 46/4885ALDH1A1 982/4885

“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.