SCHEMBL5670829

SCHEMBL5670829

COc1cc(CNC(C)=O)cc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.55
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MTNR1A P48039 5/20 0.50
▸ MTNR1B P49286 5/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HIF1A Q16665 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 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
SCHEMBL2341547 0.85 TACR1 (0.59) TACR1MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL5340479 0.83 TACR1 (0.54) TACR1MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL660541 0.82 MMP13 (0.70) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL18183526 0.81 SMN1; SMN2 (0.70) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL6289037 0.81 TACR1 (0.60) TACR1MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL13306937 0.81 TACR1 (0.52) TACR1MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL14672755 0.81 TACR1 (0.60) TACR1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL6289038 0.81 TACR1 (0.60) TACR1MEN1KMT2ASMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL29194804 0.81 MMP13 (0.68) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL11210850 0.81 KMT2A (0.57) KMT2ASMN1; SMN2HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 — — EP claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 — — WO claimed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — US disclosed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 — — EP disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 — — WO disclosed
WO-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 — — WO disclosed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 — — US disclosed
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors ALLEN DARIN ARTHUR (US) 2003-12-18 — — US disclosed
US-20030225036-A1 Non-amidine containing protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
EP-1265897-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-18 — — EP disclosed
EP-1242366-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-09-25 — — EP disclosed
US-20020052343-A1 Salicylamides as serine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-05-02 — — US disclosed
CN-1344256-A (Hetero) aryl-bicyclic heteroaryl derivatives, their prepn. and their use as protease inhibitors AXYS PHARM INC (US) 2002-04-10 — — CN disclosed
EP-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 — — EP disclosed
WO-2001070743-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-27 — — WO disclosed
WO-2001044172-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-06-21 — — WO disclosed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 — — 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 (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-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors TFPI, HABP2, PLAT TACR1 3257/4885MEN1 2391/4885KMT2A 1317/4885
US-20030225036-A1 Non-amidine containing protease inhibitors TFPI, SERPINE1, HABP2 TACR1 2210/4885MEN1 684/4885KMT2A 2549/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 TACR1 3817/4885MEN1 3032/4885KMT2A 1449/4885
US-20020052343-A1 Salicylamides as serine protease inhibitors TFPI, SERPINE1, HABP2 TACR1 3345/4885MEN1 2151/4885KMT2A 1207/4885

“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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