Sugi Predict

Sugi Predict / Compounds / SCHEMBL7988985

SCHEMBL7988985

SCHEMBL7988985

Cc1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ AGPAT2 O15120 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL19914273 0.87 ALDH1A1 (0.56) L3MBTL1GAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL18090844 0.86 L3MBTL1 (0.49) L3MBTL1GAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL16362493 0.85 L3MBTL1 (0.47) L3MBTL1GAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL4399183 0.84 L3MBTL1 (0.53) L3MBTL1GAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL11929993 0.79 NPC1 (0.42) RAB9ANPC1AGPAT2KDM4EPIM1
SCHEMBL19899503 0.79 HDAC3 (0.44) RAB9ANPC1AGPAT2KDM4EPIM1
SCHEMBL3080166 0.79 AGPAT2 (0.45) GAAALDH1A1AGPAT2KDM4EPIM1
SCHEMBL31208289 0.79 KDM4E (0.42) AGPAT2KDM4EPIM1PIM2HDAC3
SCHEMBL30238039 0.79 LMNA (0.56) RAB9ANPC1AGPAT2KDM4EPIM1
SCHEMBL1705418 0.79 KDM4E (0.42) AGPAT2KDM4EPIM1PIM2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 — — WO disclosed
WO-2021219810-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2021-11-04 — — WO disclosed
EP-3018130-B1 FUSED HETEROCYCLIC COMPOUND AND PEST CONTROL USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-08-04 — — EP disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 — — US disclosed
US-10463661-B2 Anthelmintic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-11-05 — — US disclosed
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 — — EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 — — EP disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 — — WO disclosed
WO-2016162318-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS AND INTERMEDIATE PRODUCT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 — — WO disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 — — US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 — — WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 — — US disclosed
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 — — US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 — — US disclosed
EP-2518079-A2 HCV/HIV inhibitors and their uses Novartis AG (CH) 2012-10-31 — — EP disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — WO disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 — — WO disclosed
US-6291511-B1 Biarylalkanoic acids as cell adhesion inhibitors MERCK & CO., INC. 2001-09-18 — — US disclosed
US-5637448-A CONTAINING A CYANINE DYE KONICA CORPORATION (JP) 1997-06-10 — — 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 (5 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-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A L3MBTL1 3772/4885GAA 56/4885ALDH1A1 153/4885
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 L3MBTL1 789/4885GAA 271/4885ALDH1A1 605/4885
US-10463661-B2 Anthelmintic compounds HRH4, QTRT1, Q6ZSR9 L3MBTL1 549/4885GAA 3185/4885ALDH1A1 3036/4885
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A L3MBTL1 4702/4885GAA 1177/4885ALDH1A1 742/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 L3MBTL1 2274/4885GAA 1747/4885ALDH1A1 2176/4885

“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.