SCHEMBL6296345

SCHEMBL6296345

FC(F)(F)c1ccc(-c2nnc(S)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GSK3B P49841 2/20 0.53
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOTUM Q6P988 1/20 0.47
KIF11 P52732 3/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL18528795 0.86 NPC1 (0.69) NPC1KDM4EALDH1A1CYP1A2POLB
SCHEMBL21434662 0.86 NPC1 (0.47) NPC1KDM4EALDH1A1CYP1A2POLB
SCHEMBL25101279 0.81 NPC1 (0.42) NPC1KDM4EALDH1A1CYP1A2POLB
SCHEMBL414994 0.81 NPC1 (0.64) NPC1KDM4EALDH1A1POLBRAB9A
SCHEMBL9820533 0.80 RAB9A (0.57) NPC1KDM4EHSD17B10RAB9ASMN1; SMN2
SCHEMBL22116712 0.79 NPC1 (0.57) NPC1KDM4EALDH1A1CYP1A2POLB
SCHEMBL5754354 0.79 KDM4E (0.71) NPC1KDM4EALDH1A1CYP1A2POLB
SCHEMBL29121393 0.79 NPC1 (0.71) NPC1KDM4EALDH1A1CYP1A2POLB
SCHEMBL19558149 0.79 NPC1 (0.72) NPC1KDM4EPOLBHSD17B10RAB9A
SCHEMBL21777008 0.78 KDM4E (0.62) NPC1KDM4EALDH1A1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851072-B2 Inhibitors of Rho/MRTF/SRF-mediated gene transcription and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-12-01 US disclosed
US-10851072-B2 Inhibitors of Rho/MRTF/SRF-mediated gene transcription and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-12-01 US disclosed
WO-2019195641-A2 INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-10 WO disclosed
US-20190308947-A1 INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-10-10 US disclosed
US-20190308947-A1 INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-10-10 US disclosed
US-9925193-B2 Thioether derivatives as protein kinase inhibitors PROQINASE GMBH (DE) 2018-03-27 US disclosed
US-9925193-B2 Thioether derivatives as protein kinase inhibitors PROQINASE GMBH (DE) 2018-03-27 US disclosed
EP-2922857-B1 THIOETHER DERIVATIVES AS PROTEIN KINASE INHIBITORS PROQINASE GMBH (DE) 2018-01-03 EP disclosed
US-20150328219-A1 THIOETHER DERIVATIVES AS PROTEIN KINASE INHIBITORS PROQINASE GMBH (DE) 2015-11-19 US disclosed
US-20150328219-A1 THIOETHER DERIVATIVES AS PROTEIN KINASE INHIBITORS PROQINASE GMBH (DE) 2015-11-19 US disclosed
US-6908937-B2 Heterocyclic fluoroalkenyl thioethers (II) BAYER CROPSCIENCE AG (DE) 2005-06-21 US disclosed
US-20030207869-A1 Heterocyclic fluoroalkenyl thioethers (II) BAYER CROPSCIENCE AG (DE) 2003-11-06 US disclosed
US-6605631-B1 Controlling fungi and pests; improved activity and plant tolerability BASF AKTIENGESELLSCHAFT (DE) 2003-08-12 US disclosed
EP-1303500-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS (II) Bayer Aktiengesellschaft (DE) 2003-04-23 EP disclosed
WO-2002006256-A1 HETEROCYCLIC FLUOROALKENYL THIOETHERS (II) BAYER CROPSCIENCE AG (DE) 2002-01-24 WO disclosed
US-6031110-A Ortho-substituted 2-methoxyiminophenyl-N-methylacetamides BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0686152-B1 ORTHO-SUBSTITUTED 2-METHOXYIMINOPHENYLACETIC ACID METHYLAMIDES BASF AG (DE) 1997-05-02 EP disclosed
EP-0757042-A1 Ortho-substituted 2-methoxyiminophenylaceticacid methylester BASF Aktiengesellschaft (DE) 1997-02-05 EP disclosed
EP-0686152-A1 ORTHO-SUBSTITUTED 2-METHOXYIMINOPHENYLACETIC ACID METHYLAMIDES BASF AG (DE) 1995-12-13 EP disclosed
WO-1994019331-A1 ORTHO-SUBSTITUTED 2-METHOXYIMINOPHENYLACETIC ACID METHYLAMIDES BASF AKTIENGESELLSCHAFT (DE) 1994-09-01 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 (4 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-20030207869-A1 Heterocyclic fluoroalkenyl thioethers (II) CYP2E1, CYP2S1, CYP1A1 NPC1 3368/4885KDM4E 2355/4885ALDH1A1 602/4885
US-20190308947-A1 INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME RHOXF2, BPTF, SREBF1 NPC1 480/4885KDM4E 1414/4885ALDH1A1 2056/4885
US-10851072-B2 Inhibitors of Rho/MRTF/SRF-mediated gene transcription and methods for use of the same RHOXF2, BPTF, SREBF1 NPC1 480/4885KDM4E 1414/4885ALDH1A1 2056/4885
US-20150328219-A1 THIOETHER DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K20 NPC1 2721/4885KDM4E 1100/4885ALDH1A1 3626/4885

“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.