SCHEMBL378485

SCHEMBL378485

[CH2]c1c(F)cc(Br)cc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL18129364 0.86 CYP3A4 (0.38) DGAT1CYP3A4TSHRTDP1
SCHEMBL505464 0.73 CES2 (0.41) DGAT1KDM1AKDM1BCYP3A4TSHR
SCHEMBL1931981 0.73 KDM1A (0.42) DGAT1KDM1AKDM1BCYP3A4TSHR
SCHEMBL94537 0.73 CES2 (0.36)
SCHEMBL2347204 0.71 CES2 (0.39) DGAT1KDM1AKDM1BCYP3A4TSHR
SCHEMBL27779904 0.71 CA1 (0.36) DGAT1KDM1AKDM1B
SCHEMBL18099485 0.71 DGAT1 (0.31) DGAT1
SCHEMBL31619139 0.69 CYP3A4 (0.38) DGAT1KDM1AKDM1BCYP3A4TSHR
SCHEMBL146843 0.69 DGAT1 (0.30) DGAT1
SCHEMBL21141913 0.69 ESR1 (0.32) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371298-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. (US) 2016-06-21 US disclosed
CN-103764657-B The pyrrolo-triazine replacing as the methylol aryl of ALK1 inhibitor BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-25 CN disclosed
WO-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed
CN-102712619-B 5-hydroxy pyrimidine-4-carboxamides derivatives DAIICHI SANKYO Co.,Ltd. (JP) 2015-11-25 CN disclosed
WO-2015160772-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2015-10-22 WO disclosed
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2015-03-05 US disclosed
US-8884025-B2 Processes for the preparation of isothiazole derivatives PFIZER INC. 2014-11-11 US disclosed
CN-102712619-A 5-hydroxypyrimidine-4-carboxamide derivative DAIICHI SANKYO CO LTD 2012-10-03 CN disclosed
EP-1784183-B1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER (US) 2012-01-25 EP disclosed
CN-102203093-A Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2011-09-28 CN disclosed
US-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER INC. 2009-01-22 US disclosed
EP-1784183-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES Pfizer Products Incorporated (US) 2007-05-16 EP disclosed
WO-2006026034-A2 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2006-03-09 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 (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-20090023924-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 DGAT1 3669/4885KDM1A 2652/4885KDM1B 3396/4885
US-20150065726-A1 PROCESSES FOR THE PREPARATION OF ISOTHIAZOLE DERIVATIVES CYP3A4, CYP3A43, CYP2F1 DGAT1 3758/4885KDM1A 3294/4885KDM1B 3843/4885

“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.