Sugi Predict

Sugi Predict / Compounds / SCHEMBL4143003

SCHEMBL4143003

SCHEMBL4143003

O=C(O)c1nnn(Cc2ccccc2)c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.69
▸ NPC1 O15118 1/20 0.57
▸ TSHR P16473 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ PTGES O14684 3/20 0.53
▸ HCAR3 P49019 1/20 0.51
▸ CYP19A1 P11511 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ IDO1 P14902 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ SLC9A1 P19634 1/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ CYP2C9 P11712 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
SCHEMBL4142636 0.85 SMN1; SMN2 (0.71) HPGDTSHRGAASMN1; SMN2CYP1A2
SCHEMBL15875517 0.83 HPGD (0.69) HPGDTSHRGAAPKMSMN1; SMN2
SCHEMBL13815987 0.83 HPGD (0.69) HPGDTSHRGAASMN1; SMN2CYP1A2
SCHEMBL15242982 0.82 HPGD (0.55) HPGDTSHRGAAPKMSMN1; SMN2
SCHEMBL13401381 0.82 HPGD (1.00) HPGDNPC1TSHRSMN1; SMN2CYP1A2
SCHEMBL15937046 0.82 POLB (0.55) HPGDNPC1TSHRGAAPKM
SCHEMBL795210 0.82 HPGD (0.68) HPGDTSHRGAASMN1; SMN2CYP1A2
SCHEMBL30793468 0.81 HPGD (0.62) HPGDTSHRGAAPKMSMN1; SMN2
SCHEMBL13401603 0.81 HCAR3 (0.61) HPGDNPC1GAAPKMHCAR3
SCHEMBL9634851 0.81 HPGD (0.61) HPGDTSHRGAASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110697833-A Nanofiltration membrane for heavy metal treatment and preparation method thereof 宁波泰意德过滤技术有限公司 2020-01-17 — — CN claimed
CN-109666158-B Hybrid dynamic polymer and application thereof 厦门逍扬运动科技有限公司 2023-04-07 — — CN disclosed
CN-110697833-A Nanofiltration membrane for heavy metal treatment and preparation method thereof 宁波泰意德过滤技术有限公司 2020-01-17 — — CN disclosed
CN-109666158-A A kind of hydridization dynamic aggregation object and its application 翁秋梅 2019-04-23 — — CN disclosed
CN-109666130-A A kind of energy-absorbing method based on dynamic aggregation object 翁秋梅 2019-04-23 — — CN disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 — — US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 — — EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 — — US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 — — US disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 — — CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 HPGD 1619/4885NPC1 1218/4885TSHR 3906/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 HPGD 1588/4885NPC1 1870/4885TSHR 4025/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 HPGD 1588/4885NPC1 1870/4885TSHR 4025/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 HPGD 2077/4885NPC1 1671/4885TSHR 3915/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE HPGD 1374/4885NPC1 1365/4885TSHR 4778/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE HPGD 1374/4885NPC1 1365/4885TSHR 4778/4885

“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.