SCHEMBL8915289

SCHEMBL8915289

COc1cccc(N(C)CC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.59
MTNR1B P49286 9/20 0.59
LMNA P02545 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
HSD17B2 P37059 3/20 0.50
HSD17B1 P14061 2/20 0.50
UTS2R Q9UKP6 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL342248 0.85 LMNA (0.54) MTNR1AMTNR1BLMNAHSD17B2HSD17B1
SCHEMBL11672821 0.85 MTNR1A (0.54) MTNR1AMTNR1BLMNAHSD17B2HSD17B1
SCHEMBL12909886 0.83 MTNR1B (0.57) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL9779990 0.83 LMNA (0.51) MTNR1AMTNR1BLMNAHSD17B2HSD17B1
SCHEMBL10011062 0.82 MTNR1A (0.55) MTNR1AMTNR1BLMNAHSD17B2HSD17B1
SCHEMBL17975523 0.80 MTNR1A (0.52) MTNR1AMTNR1BLMNAHSD17B2HSD17B1
SCHEMBL2447967 0.80 LMNA (0.49) MTNR1AMTNR1BLMNAHSD17B2HSD17B1
SCHEMBL20390462 0.80 MTNR1A (0.63) MTNR1AMTNR1BLMNA
SCHEMBL31575669 0.80 KEAP1 (0.58) CA12CA1CA2CA9KEAP1
SCHEMBL16384063 0.79 ALDH1A1 (0.65) LMNAKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560928-B1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2021-10-20 EP disclosed
EP-3560928-B1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO LTD (CN) 2021-10-20 EP disclosed
CN-108203438-B Fused imidazole compounds having indoleamine 2,3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2021-09-28 CN disclosed
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2020-03-31 US disclosed
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2020-03-31 US disclosed
US-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2019-11-21 US disclosed
US-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2019-11-21 US disclosed
EP-3560928-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2019-10-30 EP disclosed
EP-3560928-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2019-10-30 EP disclosed
WO-2018113624-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY 深圳微芯生物科技有限责任公司 2018-06-28 WO disclosed
WO-2014079850-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (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-20190352307-A1 FUSED IMIDAZOLE COMPOUND HAVING INDOLEAMINE 2,3-DIOXYGENASE INHIBITORY ACTIVITY IDO1, IDO2, INMT MTNR1A 319/4885MTNR1B 337/4885LMNA 4703/4885
US-10604529-B2 Fused imidazole compound having indoleamine 2,3-dioxygenase inhibitory activity IDO1, IDO2, INMT MTNR1A 176/4885MTNR1B 177/4885LMNA 4738/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MTNR1A 486/4885MTNR1B 652/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MTNR1A 560/4885MTNR1B 965/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MTNR1A 225/4885MTNR1B 335/4885LMNA 1091/4885

“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.