Sugi Predict

Sugi Predict / Compounds / SCHEMBL304730

SCHEMBL304730

SCHEMBL304730

[CH2]c1ccc(OCCN)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.60
▸ LTA4H P09960 2/20 0.57
▸ PLA2G2A P14555 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP19A1 P11511 4/20 0.46
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ CYP3A5 P20815 1/20 0.42

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
SCHEMBL6714503 0.87 TAAR1 (0.75) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL3729908 0.81 APP (0.50) ALDH1A1
SCHEMBL29237868 0.80 TAAR1 (0.65) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL4096846 0.79 MAPT (0.42) SMN1; SMN2MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL7866458 0.78 TAAR1 (0.62) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL23905132 0.76 LTA4H (0.64) TAAR1LTA4HPLA2G2A
SCHEMBL7362924 0.76 NPC1 (0.40) TAAR1LTA4HPLA2G2ASMN1; SMN2ALDH1A1
SCHEMBL4819508 0.76 ALDH1A1 (0.60) SMN1; SMN2CYP19A1MEN1ALDH1A1LMNA
SCHEMBL3158699 0.76 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2CYP19A1
SCHEMBL98351 0.76 LTA4H (0.57) LTA4HCYP19A1CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 — — CN claimed
CN-105143206-B Pyrimidine -2,4- diamine derivative for treating cancer 托马斯·黑勒戴药物研究基金会 2019-01-15 — — CN disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 — — US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 — — US disclosed
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 — — CN disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 — — CN disclosed
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 — — EP disclosed
CN-102964239-A Metallo-beta-lactamase inhibitor MEIJI SEIKA KAISHA 2013-03-13 — — CN disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 — — US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 — — US disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 — — US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 — — US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 — — US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 — — EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 — — WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 — — US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 — — WO disclosed
EP-0328924-B1 Thienotriazolodiazepine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-08-21 — — EP disclosed
US-4937240-A PLATELET ACTIVATING FACTOR ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-06-26 — — US disclosed
EP-0328924-A2 Thienotriazolodiazepine compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-08-23 — — EP 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 TAAR1 3790/4885LTA4H 4763/4885PLA2G2A 4002/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 TAAR1 4357/4885LTA4H 4312/4885PLA2G2A 4141/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA TAAR1 4510/4885LTA4H 803/4885PLA2G2A 3003/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 TAAR1 3606/4885LTA4H 4078/4885PLA2G2A 4488/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 TAAR1 4154/4885LTA4H 652/4885PLA2G2A 3903/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA TAAR1 4471/4885LTA4H 842/4885PLA2G2A 2871/4885

“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.