SCHEMBL779328

SCHEMBL779328

CC(C)(C#N)c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSMB5 P28074 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPA1 O75762 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL6965456 0.86 ALDH1A1 (0.36) PSMB8LMNAALDH1A1KDM4EMEN1
SCHEMBL8235296 0.77 TSHR (0.35) PSMB8CYP1A2CYP2A6TSHRLMNA
SCHEMBL1605524 0.76 KCNN4 (0.41) PSMB8CYP1A2TSHRLMNAALDH1A1
SCHEMBL20847883 0.75 ALDH1A1 (0.41) PSMB8LMNAALDH1A1KDM4EKMT2A
SCHEMBL22542073 0.75 DYRK1A (0.30) DYRK1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL29143307 0.74 TSHR (0.39) CYP1A2CYP2A6TSHRALDH1A1TRPA1
SCHEMBL21718388 0.74 DYRK1A (0.42) PSMB8TSHRDYRK1AALDH1A1KDM4E
SCHEMBL2814708 0.74 CYP3A4 (0.41) TSHRALDH1A1
SCHEMBL18189333 0.74 SLC22A12 (0.31) PSMB8
SCHEMBL3865379 0.73 ACHE (0.32) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP disclosed
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
CN-102648184-B LXR conditioning agent EXELIXIS, INC. (US) 2015-09-30 CN disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
WO-2010138598-A2 LXR MODULATORS EXELIXIS, INC. (US) 2010-12-02 WO disclosed
WO-2010138598-A2 LXR MODULATORS EXELIXIS, INC. (US) 2010-12-02 WO disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 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 (5 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B PSMB8 2329/4885CYP1A2 2753/4885CYP2A6 2654/4885
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 PSMB8 3090/4885CYP1A2 906/4885CYP2A6 2392/4885
US-20120071534-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 PSMB8 3107/4885CYP1A2 88/4885CYP2A6 45/4885
US-20150299136-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 PSMB8 3107/4885CYP1A2 88/4885CYP2A6 45/4885
US-20160280661-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 PSMB8 3107/4885CYP1A2 88/4885CYP2A6 45/4885

“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.