SCHEMBL14638820

SCHEMBL14638820

CON(C)C(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ CXCL12 P48061 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL29782139 0.79 HPGD (0.48) TSHRHPGDMAPTSRD5A2SMN1; SMN2
SCHEMBL2651614 0.79 HPGD (0.48) TSHRHPGDMAPTSRD5A2SMN1; SMN2
SCHEMBL2655175 0.77 SLC6A3 (0.54) TSHRSLC6A3HPGDMAPTSLC6A2
SCHEMBL8017852 0.76 TSHR (0.53) TSHRHPGDMAPTSRD5A2SMN1; SMN2
SCHEMBL15991856 0.69 HPGD (0.39) TSHRSLC6A3HPGDMAPTSLC6A2
SCHEMBL15991857 0.69 HPGD (0.39) TSHRSLC6A3HPGDMAPTSLC6A2
SCHEMBL8988251 0.68 MLYCD (0.45) SLC6A3HPGDMAPTSLC6A2SLC6A4
SCHEMBL4097869 0.68 MLYCD (0.45) TSHRSLC6A3MAOAMAOBMAPT
SCHEMBL7964746 0.68 HPGD (0.43) TSHRSLC6A3HPGDMAOAMAOB
SCHEMBL14638925 0.67 TAS1R3 (0.38) HPGDMAPTSMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093609-B2 TAK1 kinase inhibitors, compositions, and uses related thereto EMORY UNIVERSITY (US) 2018-10-09 — — US disclosed
US-20170369417-A1 TAK1 Kinase Inhibitors, Compositions, and Uses Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-28 — — US disclosed
US-9751825-B2 TAK1 kinase inhibitors, compositions, and used related thereto EMORY UNIVERSITY (US) 2017-09-05 — — US disclosed
US-20140249199-A1 TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO HEALTH RESEARCH, INC. (US) 2014-09-04 — — US disclosed
WO-2013012998-A1 TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO EMORY UNIVERSITY (US) 2013-01-24 — — 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-10093609-B2 TAK1 kinase inhibitors, compositions, and uses related thereto TAB1, MAP3K1, MAP3K6 TSHR 4115/4885SLC6A3 4767/4885HPGD 2646/4885
US-20140249199-A1 TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO TAB1, MAP3K1, MAP3K6 TSHR 4112/4885SLC6A3 4778/4885HPGD 2797/4885
US-20170369417-A1 TAK1 Kinase Inhibitors, Compositions, and Uses Related Thereto TAB1, MAP3K1, MAP3K6 TSHR 4115/4885SLC6A3 4767/4885HPGD 2646/4885

“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.

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