Sugi Predict

Sugi Predict / Compounds / SCHEMBL1736587

SCHEMBL1736587

SCHEMBL1736587

O=[N+]([O-])c1cccnc1NCc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.70
▸ PKM P14618 1/20 0.59
▸ MAPT P10636 4/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ HTT P42858 1/20 0.54
▸ LMNA P02545 2/20 0.50
▸ EGFR P00533 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL31631301 0.87 NPC1 (0.74) NPC1PKMMAPTRAB9AHTT
SCHEMBL1738419 0.87 NPC1 (0.74) NPC1PKMMAPTRAB9AHTT
SCHEMBL9539135 0.86 NPC1 (0.74) NPC1PKMMAPTRAB9AHTT
SCHEMBL6759359 0.86 NPC1 (0.70) NPC1PKMMAPTRAB9ALMNA
SCHEMBL7832980 0.86 NPC1 (0.70) NPC1PKMMAPTRAB9ALMNA
SCHEMBL6837551 0.86 NPC1 (0.70) NPC1PKMMAPTRAB9AHTT
Methyl Alcohol SCHEMBL10640492 0.83 NPC1 (0.70) NPC1PKMMAPTRAB9AHTT
SCHEMBL9536527 0.83 NPC1 (1.00) NPC1PKMMAPTRAB9AHTT
SCHEMBL31753053 0.82 NPC1 (0.72) NPC1PKMMAPTRAB9ALMNA
SCHEMBL26922025 0.80 NPC1 (0.62) NPC1PKMMAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253737-B3 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECH LTD (GB) 2024-05-29 — — EP disclosed
US-11453666-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-27 — — US disclosed
CN-107428752-B Home chemokine inhibiting compounds 癌症研究科技有限公司 2021-06-29 — — CN disclosed
US-20200283435-A1 Autotaxin Inhibitory Compunds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-09-10 — — US disclosed
US-10654846-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-19 — — US disclosed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 — — US disclosed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 — — US disclosed
WO-2016124939-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 — — WO disclosed
WO-2016124939-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 — — WO disclosed
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 — — US disclosed
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — US disclosed
EP-1549315-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2005-07-06 — — EP disclosed
WO-2004024078-A2 DIHYDROXYPYRIDOPYRAZINE-1,6-DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2004-03-25 — — WO disclosed
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 — — EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 — — US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 — — US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 — — EP disclosed
EP-0005318-B1 N-HETEROCYCLYL-4-PIPERIDINAMINES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, INTERMEDIATES THEREFOR, AND METHOD FOR THE PREPARATION OF THE INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1982-01-06 — — EP disclosed
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 — — US disclosed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 — — 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 (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-10654846-B2 Autotaxin inhibitory compounds ENPP2, RNASE1, ATXN10 NPC1 3265/4885PKM 4718/4885MAPT 3173/4885
US-20200283435-A1 Autotaxin Inhibitory Compunds ENPP2, RNASE1, ATXN10 NPC1 3505/4885PKM 4777/4885MAPT 3363/4885
US-11453666-B2 Autotaxin inhibitory compounds ENPP2, RNASE1, ATXN10 NPC1 3262/4885PKM 4712/4885MAPT 3294/4885
US-20060024330-A1 Dihydroxypyridopyrazine-1,6-dione compounds useful as hiv integrase inhibitors DHPS, DUT, CDKN1A NPC1 4260/4885PKM 1458/4885MAPT 3817/4885
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS ENPP2, RNASE1, ATXN10 NPC1 3265/4885PKM 4718/4885MAPT 3173/4885

“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.