SCHEMBL6921026

SCHEMBL6921026

Cc1cc(C(F)(F)F)c(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
S1PR1 P21453 2/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
ASPH Q12797 1/20 0.33
NOTUM Q6P988 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TRPA1 O75762 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NR1H2 P55055 2/20 0.33

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
SCHEMBL13073943 0.84 UHRF1 (0.46) UHRF1S1PR1HPGDHSD17B10CYP1A2
SCHEMBL15857991 0.83 UHRF1 (0.39) UHRF1S1PR1HPGDHSD17B10CYP1A2
SCHEMBL16274506 0.82 CYP11B1 (0.33) S1PR1HPGDHSD17B10CYP2A6NOS3
SCHEMBL19144982 0.82 TRPV4 (0.39) HPGDHSD17B10CYP1A2NOS3NOS1
SCHEMBL29899421 0.80 NOS3 (0.56) S1PR1HPGDHSD17B10NOS3NOS1
SCHEMBL20802304 0.80 AGBL2 (0.35) S1PR1HPGDHSD17B10NOS3NOS1
SCHEMBL29272186 0.80 TRPA1 (0.34) UHRF1S1PR1HPGDHSD17B10NOS3
SCHEMBL10187259 0.80 PIK3R1 (0.39) HPGDGPBAR1NOTUMALDH1A1
SCHEMBL6933510 0.80 NOS3 (0.56) S1PR1HPGDHSD17B10NOS3NOS1
SCHEMBL25787773 0.79 HPGD (0.37) UHRF1HPGDHSD17B10CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780861-B2 Phosphine reagents for azine fluoroalkylation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-10 US disclosed
US-20230108588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2023-04-06 US disclosed
EP-3430005-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE PLEXXIKON INC (US) 2021-12-08 EP disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 US disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-10-24 US disclosed
WO-2018118947-A1 THIENOPYRROLE DERIVATIVES FOR USE IN TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2018-06-28 WO disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 US disclosed
US-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-09-21 US disclosed
WO-2011103460-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]ONDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103430-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103485-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011103433-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2011038161-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 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 (8 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS UHRF1 3487/4885S1PR1 4527/4885HPGD 81/4885
US-20170267660-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKAR2B, AKT3, MAP3K11 UHRF1 1076/4885S1PR1 2390/4885HPGD 2258/4885
US-20230108588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF NSUN3, EIF2AK2, NSUN2 UHRF1 1651/4885S1PR1 1689/4885HPGD 4690/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 UHRF1 1699/4885S1PR1 2871/4885HPGD 4068/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A UHRF1 2594/4885S1PR1 1834/4885HPGD 710/4885
US-11780861-B2 Phosphine reagents for azine fluoroalkylation PTPN3, PHOSPHO1, SKIC3 UHRF1 4177/4885S1PR1 188/4885HPGD 4863/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 UHRF1 1699/4885S1PR1 2871/4885HPGD 4068/4885
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 UHRF1 1699/4885S1PR1 2871/4885HPGD 4068/4885

“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.