SCHEMBL1177985

SCHEMBL1177985

O=C(Cc1ccccc1)Oc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PAM P19021 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 3/20 0.44
UCHL1 P09936 1/20 0.44
USP5 P45974 1/20 0.44
USP4 Q13107 1/20 0.44
SENP1 Q9P0U3 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
PSMB5 P28074 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL31239081 0.90 CYP19A1 (0.64) CYP19A1SMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL27811093 0.84 TSHR (0.41) CYP19A1SMN1; SMN2L3MBTL1ALDH1A1POLB
SCHEMBL11561793 0.83 RAB9A (0.47) SMN1; SMN2MAPK1ALDH1A1POLBTSHR
SCHEMBL240908 0.82 TSHR (0.45) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL29184630 0.81 KMT2A (0.53) ALDH1A1KMT2ACES1GAA
SCHEMBL969754 0.81 TSHR (0.42) SMN1; SMN2L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL7414860 0.79 TSHR (0.40) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL4996914 0.79 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TSHRLMNAKMT2A
SCHEMBL30571184 0.79 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TSHRLMNAKMT2A
SCHEMBL6245082 0.79 TSHR (0.40) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080064-A Process for producing carboxylic acid ester SUMITOMO CHEMICAL CO 2013-05-01 CN disclosed
US-7883713-B2 Suspension, ointment, solution, spray, lotion, gel, cream, powder, powder spray, paste, emulsion, foam or stick; for treatment of herpes infections in humans AICURIS GMBH & CO. KG (DE) 2011-02-08 US disclosed
US-7105553-B2 Thiazolyl amide derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
CN-1253441-C Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2006-04-26 CN disclosed
US-20040235916-A1 Thiazolyl amides and their use as antiviral drugs SCHOHE-LOOP RUDOLF (DE) 2004-11-25 US disclosed
US-20040235917-A1 Topical application of thiazolyl amides AIC316 GMBH (DE) 2004-11-25 US disclosed
US-20040006076-A1 Thiazolyl amide derivatives AICURIS GMBH & CO. KG (DE) 2004-01-08 US disclosed
CN-1304447-A Treatment of parasitic diseases by inhibition of cysteine proteases of papain superfamily SMITHKLINE BEECHAM CORP (US) 2001-07-18 CN disclosed
CN-1255119-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 CN 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 (3 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-20040235916-A1 Thiazolyl amides and their use as antiviral drugs EIF2AK2, MAVS, ZC3HAV1 CYP19A1 3215/4885SMN1; SMN2 4321/4885L3MBTL1 2887/4885
US-20040235917-A1 Topical application of thiazolyl amides TK1, TREH, SUCLG1 CYP19A1 3550/4885SMN1; SMN2 4743/4885L3MBTL1 3954/4885
US-20040006076-A1 Thiazolyl amide derivatives MAVS, EIF2AK2, SARS1 CYP19A1 4839/4885SMN1; SMN2 4613/4885L3MBTL1 3347/4885

“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.