Sugi Predict

Sugi Predict / Compounds / SCHEMBL2449990

SCHEMBL2449990

SCHEMBL2449990

N#Cc1ccc(/C=N\O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ ALDH1A1 P00352 6/20 0.57
▸ GAA P10253 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ FBP1 P09467 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
SCHEMBL3821801 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL1230125 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL27670220 0.98 KMT2A (0.56) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL5125595 0.94 KMT2A (0.53) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL5125590 0.94 KMT2A (0.53) KMT2AMEN1ALDH1A1GAAKDM4E
Isonicotinonitrile SCHEMBL27701693 0.82 GRK2 (0.48) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL5668373 0.80 KMT2A (0.64) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4275687 0.80 KMT2A (0.64) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4275683 0.80 KMT2A (0.64) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL27198359 0.80 KMT2A (0.64) KMT2AMEN1ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845486-B Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2023-03-21 — — CN disclosed
CN-110845486-A Triazole alcohol derivative and preparation method and application thereof 中国人民解放军第二军医大学 2020-02-28 — — CN disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 — — EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 — — EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 — — EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 — — EP disclosed
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance ABBOTT LABORATORIES 2006-07-27 — — US disclosed
EP-1328534-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE Abbott Laboratories (US) 2003-07-23 — — EP disclosed
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 — — US disclosed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 — — US disclosed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — WO disclosed
WO-1996037482-A1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-11-28 — — WO disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP disclosed
EP-0730589-A1 ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 — — EP disclosed
US-5446056-A Isoxazoline compounds useful as fibrinogen receptor antagonists THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-08-29 — — US disclosed
WO-1995014682-A1 ISOXAZOLINE COMPOUNDS USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 — — WO disclosed
EP-0080700-B1 A PROCESS FOR PRODUCING NITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-23 — — EP disclosed
US-4456562-A AZEOTROPIC DISTILLATION OF WATER FROM REACTION PRODUCT OF ANALDEHYDE AND HYDROXYLAMINE OR ALDOXIME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-06-26 — — US disclosed
EP-0080700-A1 A process for producing nitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-08 — — 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 (2 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-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance CYP2D6, CYP2B6, UGT1A6 KMT2A 3706/4885MEN1 4566/4885ALDH1A1 2424/4885
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB KMT2A 4689/4885MEN1 4504/4885ALDH1A1 702/4885

“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.