SCHEMBL1144728

SCHEMBL1144728

CCOC(=O)c1ccc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.58
MAPT P10636 4/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
ERN1 O75460 2/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PRKCZ Q05513 2/20 0.49
ESR1 P03372 1/20 0.48
ESRRG P62508 1/20 0.48
IDO1 P14902 1/20 0.47
ALPL P05186 1/20 0.47
TARBP2 Q15633 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL12582258 0.88 ERN1 (0.54) MAPTTRPM8ERN1HDAC3HDAC4
SCHEMBL4338533 0.87 ERN1 (0.56) IKBKBMAPTTRPM8ERN1HDAC3
SCHEMBL1784438 0.86 ERN1 (0.56) MAPTERN1HDAC3HDAC4HDAC1
SCHEMBL18832290 0.86 PRF1 (0.54) MAPTERN1HDAC3HDAC4HDAC1
SCHEMBL5204528 0.85 PRF1 (0.56) IKBKBMAPTTRPM8PRKCZESR1
SCHEMBL2715947 0.85 KDM4E (0.59) MAPTTRPM8ERN1HDAC3HDAC4
SCHEMBL2028546 0.85 MAPT (0.62) IKBKBMAPTERN1HDAC3HDAC4
SCHEMBL12470090 0.84 ALDH1A1 (0.57) MAPTTRPM8ERN1HDAC3HDAC4
SCHEMBL17201558 0.84 ERN1 (0.49) MAPTTRPM8ERN1HDAC3HDAC4
SCHEMBL6361017 0.84 KDM4E (0.61) MAPTERN1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249154-B2 Compounds and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI (US) 2016-02-02 US disclosed
EP-2142554-B1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION WU ZHANGGUI (US) 2013-06-06 US disclosed
US-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 US disclosed
CN-101481380-B Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MED XINCHANG PHARM 2012-10-17 CN disclosed
US-7973159-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-05 US disclosed
US-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 US disclosed
US-7851622-B2 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-14 US disclosed
CN-101687882-A Non-basic melanin concentrating hormone receptor body-1 antagonist BRISTOL MYERS SQUIBB CO 2010-03-31 CN disclosed
EP-2142554-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2010-01-13 EP disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 US disclosed
CN-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 CN disclosed
WO-2008134480-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-06 WO disclosed
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety BRISTOL-MYERS SQUIBB COMPANY 2008-10-30 US 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-20110034375-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R IKBKB 3353/4885MAPT 2294/4885TRPM8 1904/4885
US-20080269110-A1 6-(4-Chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-thieno[3,2-d][1,2,3]triazin-4(3H)-one, for example; for treating a patient suffering from an MCHR-1 modulated disease or disorder such as obesity, diabetes, depression or anxiety MCHR1, MCHR2, MC3R IKBKB 3126/4885MAPT 2306/4885TRPM8 2344/4885
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 IKBKB 704/4885MAPT 2544/4885TRPM8 3201/4885
US-20130143887-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, PLK1 IKBKB 704/4885MAPT 2544/4885TRPM8 3201/4885

“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.