SCHEMBL3754699

SCHEMBL3754699

O=C(O)c1ccc(-c2cccc(Cl)c2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.69
MEN1 O00255 1/20 0.67
POLB P06746 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67
HSD17B1 P14061 3/20 0.58
HSD17B2 P37059 3/20 0.58
ESRRG P62508 4/20 0.56
ESR1 P03372 3/20 0.56
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
ESR2 Q92731 2/20 0.54
HDAC6 Q9UBN7 2/20 0.53
HDAC1 Q13547 2/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CNR1 P21554 1/20 0.51
C3AR1 Q16581 1/20 0.51

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
SCHEMBL27565581 0.85 IKBKB (0.71) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL6416187 0.84 POLB (0.58) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL1761545 0.84 RAB9A (0.92) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL6260315 0.83 RAB9A (0.83) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL1144473 0.82 IKBKB (0.71) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL3639170 0.81 HPGDS (1.00) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL2491267 0.80 RAB9A (1.00) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL6262954 0.80 HPGDS (0.69) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL5842337 0.80 HPGDS (0.69) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL3749139 0.80 HPGDS (0.69) HPGDSMEN1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO claimed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 WO disclosed
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HPGDS 3685/4885MEN1 550/4885POLB 4496/4885
US-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK HPGDS 3294/4885MEN1 3793/4885POLB 3466/4885

“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.