SCHEMBL1278657

SCHEMBL1278657

O=[N+]([O-])c1cnc(O)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
HTT P42858 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GALR3 O60755 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE7A Q13946 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CXCR5 P32302 1/20 0.38
APLNR P35414 1/20 0.38
CCR6 P51684 1/20 0.38
LMNA P02545 3/20 0.38
PKM P14618 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL31053163 1.00 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL26878892 0.81 ALDH1A1 (0.62) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL30517122 0.79 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL30517139 0.79 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL29883237 0.79 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL25299377 0.79 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL909437 0.79 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL909398 0.79 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL20569282 0.79 ALDH1A1 (0.65) ALDH1A1HTTMEN1KMT2AGALR3
SCHEMBL3650139 0.79 ALDH1A1 (0.60) ALDH1A1HTTMEN1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459299-A Gamma site deuteration method of fatty amine compound 浙大宁波理工学院 2024-08-09 CN claimed
CN-113248424-A Novel microchannel preparation process of 2-hydroxy-3-trifluoromethyl-5-nitropyridine 甘肃安卓幸制药有限公司 2021-08-13 CN claimed
EP-4682148-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Ireland Unlimited Company (IE) 2026-01-21 EP disclosed
US-20250161318-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC (US) 2025-05-22 US disclosed
EP-4267574-B1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS INC (US) 2025-04-23 EP disclosed
CN-119688819-A Detection method of ceftiofur sodium serving as drug metabolism molecule 山东省分析测试中心 2025-03-25 CN disclosed
US-20250019364-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2025-01-16 US disclosed
EP-4474383-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Ireland Unlimited Company (IE) 2024-12-11 EP disclosed
CN-118459299-A Gamma site deuteration method of fatty amine compound 浙大宁波理工学院 2024-08-09 CN disclosed
US-12043632-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-11897864-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2024-02-13 US disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 US disclosed
WO-2006042289-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-20 WO disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (7 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL ALDH1A1 1304/4885HTT 3259/4885MEN1 2277/4885
US-11897864-B2 Apoptosis inducing agents for the treatment of cancer and immune and autoimmune diseases BCL2, BAX, BCL3 ALDH1A1 4238/4885HTT 3503/4885MEN1 3634/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL ALDH1A1 1599/4885HTT 3391/4885MEN1 1767/4885
US-20250019364-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4238/4885HTT 3503/4885MEN1 3634/4885
US-12043632-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B ALDH1A1 3735/4885HTT 1969/4885MEN1 3963/4885
US-20250161318-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 ALDH1A1 4457/4885HTT 3628/4885MEN1 4081/4885
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues PIGS, GPR52, GPR174 ALDH1A1 882/4885HTT 1662/4885MEN1 3786/4885

“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.