SCHEMBL4978016

SCHEMBL4978016

CC(C)(C)c1nc(CCc2ccc(Cl)cc2)nn1CCO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
P2RX3 P56373 1/20 0.34
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
CRHR1 P34998 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SLC5A2 P31639 1/20 0.32
TRPA1 O75762 2/20 0.32
MARS1 P56192 1/20 0.32

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
SCHEMBL7635398 0.88 ALDH1A1 (0.39) ALDH1A1CYP3A4CNR1CNR2PDE4D
SCHEMBL4978019 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4CNR1CNR2P2RX3
SCHEMBL7570871 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4P2RX3PDE4DPDE7A
SCHEMBL4939707 0.72 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7635408 0.69 KDM4E (0.38) ALDH1A1CYP3A4CNR1CNR2PDE4D
SCHEMBL8335941 0.62 ALDH1A1 (0.35) ALDH1A1CYP3A4CNR1P2RX3NPC1
SCHEMBL8439467 0.61 ALDH1A1 (0.36) ALDH1A1CYP3A4CNR2KMT2AMEN1
SCHEMBL77492 0.61 CA2 (0.59) ALDH1A1
SCHEMBL25341473 0.61 ALDH1A1 (0.49) ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL11462574 0.61 ALDH1A1 (0.49) ALDH1A1CYP3A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064756-A1 Use of Alcohol-Oxyalkylates in the Form of Adjuvants for Benzamidoxime Fungicidal Derivatives, Appropriate Agents and Kits BASF AKTIENGESELLSCHAFT (DE) 2008-03-13 US disclosed
US-7101900-B2 Benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides RHEINHEIMER JOACHIM (DE) 2005-08-25 US disclosed
EP-1003725-B1 FLUOROPYRAZOLE-BIPHENYLAMIDE FUNGICIDES BASF AG (DE) 2004-12-29 EP disclosed
EP-1257172-B1 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AG (DE) 2004-10-13 EP disclosed
US-6680402-B2 SUCH AS N-PHENYLACETYL-2-DIFLUOROMETHOXY-6-FLUOROBENZAMIDE-O-CYCLOPROPYLMETHYL OXIME BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6680283-B1 TREATMENT OF PLANTS, AND ALSO FOR THE THERAPEUTIC TREATMENT OF HUMAN DISORDERS CAUSED BY HARMFUL FUNGI, AND FOR THE VETERINARY TREATMENT OF MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
EP-1218339-B1 BENZYL AMIDOXIME DERIVATIVES, INTERMEDIATE PRODUCTS AND METHOD FOR THEIR PRODUCTION AND USE AS FUNGICIDES BASF AG (DE) 2003-10-01 EP disclosed
US-6586369-B1 Agriculture BASF AKTIENGESELLSCHAFT (DE) 2003-07-01 US disclosed
US-20030120085-A1 Novel benzamidoxime derivatives, intermediates and processes for their preparation, and their use as fungicides EICKEN KARL (DE) 2003-06-26 US disclosed
EP-0808102-A1 FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-11-26 EP disclosed
EP-0672654-B1 Fungicidal carbamoyloxime carbonic acid amides BASF AG (DE) 1997-09-10 EP disclosed
EP-0763014-A1 CARBAMOYL CARBOXYLIC ACID HYDRAZIDES AND THEIR USE AGAINST FUNGI BASF AKTIENGESELLSCHAFT (DE) 1997-03-19 EP disclosed
WO-1997008147-A1 N-HETEROCYCLIC COMPOUNDS, INTERMEDIATE PRODUCTS USED TO PREPARE THEM, AGENTS CONTAINING THEM AND THEIR USE IN ANTIFUNGAL APPLICATIONS BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
WO-1997008148-A1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
WO-1997008138-A1 CARBAMOYL CARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
WO-1996024249-A1 FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-08-15 WO disclosed
WO-1995033710-A1 CARBAMOYL CARBOXYLIC ACID HYDRAZIDES AND THEIR USE AGAINST FUNGI BASF AKTIENGESELLSCHAFT (DE) 1995-12-14 WO disclosed
EP-0672654-A1 Fungicidal carbamoyloxime carbonic acid amides BASF AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
WO-1995023786-A1 CARBAMOYL CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-09-08 WO 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-20080064756-A1 Use of Alcohol-Oxyalkylates in the Form of Adjuvants for Benzamidoxime Fungicidal Derivatives, Appropriate Agents and Kits ADH5, AOX1, CYP2E1 ALDH1A1 54/4885CYP3A4 146/4885CNR1 2859/4885
US-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides CBR3, CBR1, CYP1B1 ALDH1A1 1086/4885CYP3A4 32/4885CNR1 421/4885
US-20030120085-A1 Novel benzamidoxime derivatives, intermediates and processes for their preparation, and their use as fungicides CBR1, CBR3, CYP1B1 ALDH1A1 316/4885CYP3A4 12/4885CNR1 421/4885

“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.