Sugi Predict

Sugi Predict / Compounds / SCHEMBL301140

SCHEMBL301140

SCHEMBL301140

O=[N+]([O-])N1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ NOTUM Q6P988 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ ATM Q13315 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL28328241 0.95 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ASIGMAR1NOTUM
Sulfuric Acid SCHEMBL28331834 0.92 KMT2A (0.51) SMN1; SMN2MEN1KMT2ASIGMAR1NOTUM
SCHEMBL445091 0.89 SIGMAR1 (0.47) SMN1; SMN2MEN1KMT2ASIGMAR1NOTUM
SCHEMBL29413886 0.89 SIGMAR1 (0.47) SMN1; SMN2MEN1KMT2ASIGMAR1NOTUM
Water SCHEMBL17077293 0.87 SIGMAR1 (0.46) SMN1; SMN2MEN1KMT2ASIGMAR1NOTUM
SCHEMBL10620807 0.73 KMT2A (0.59) SMN1; SMN2MEN1KMT2AMAPTMITF
SCHEMBL18984655 0.73 MEN1 (0.48) SMN1; SMN2MEN1KMT2ASIGMAR1NOTUM
SCHEMBL2913060 0.72 NOTUM (0.44) SMN1; SMN2KMT2ANOTUML3MBTL1
SCHEMBL28898751 0.71 MAPT (0.56) SMN1; SMN2MEN1KMT2AMAPTMITF
SCHEMBL9320248 0.70 KMT2A (0.59) SMN1; SMN2MEN1KMT2AMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 — — US claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 — — US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 — — EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 — — EP disclosed
WO-2023215335-A1 FUNCTIONALIZED PSYCHOACTIVE COMPOUNDS LUCY SCIENTIFIC DISCOVERY (CA) 2023-11-09 — — WO disclosed
EP-4149949-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. (US) 2023-03-22 — — EP disclosed
WO-2021226114-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS, POLYMORPHIC FORMS, AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. (US) 2021-11-11 — — WO disclosed
CN-109232359-B Synthesis method of nitramide 西北大学 2021-02-19 — — CN disclosed
US-20200407373-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF QPEX BIOPHARMA, INC. 2020-12-31 — — US disclosed
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-10-01 — — US disclosed
US-6204398-B1 USEFUL AS INTERMEDIATES THAT ARE THEMSELVES USEFUL IN THE SYNTHESIS OF NEURAMINIDASE INHIBITORS GILEAD SCIENCES, INC. 2001-03-20 — — US disclosed
WO-2000042003-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 — — WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 — — WO disclosed
WO-2000042002-A1 SULPHOHYDROXAMIC ACIDS AND SULPHOHYDROXAMATES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 — — WO disclosed
US-6057459-A Preparation of carbocyclic compounds GILEAD SCIENCES, INC. (US) 2000-05-02 — — US disclosed
WO-1999055664-A1 PREPARATION OF CARBOCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1999-11-04 — — WO disclosed
EP-0920410-A1 PREPARATION OF CYCLOHEXENE CARBOXYLATE DERIVATIVES GILEAD SCIENCES, INC. (US) 1999-06-09 — — EP disclosed
US-5886213-A CHEMICAL INTERMEDIATES USEFUL IN THE SYNTHESIS OF NEURAMINIDASE INHIBITORS GILEAD SCIENCES, INC. (US) 1999-03-23 — — US disclosed
US-5859284-A Preparation of carbocyclic compounds GILEAD SCIENCES, INC. (US) 1999-01-12 — — US disclosed
WO-1998007685-A1 PREPARATION OF CYCLOHEXENE CARBOXYLATE DERIVATIVES GILEAD SCIENCES, INC. (US) 1998-02-26 — — 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 (3 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-20200407373-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF BTD, BLVRB, BLK SMN1; SMN2 2438/4885MEN1 853/4885KMT2A 1244/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 SMN1; SMN2 4370/4885MEN1 3249/4885KMT2A 3000/4885
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF ADH5, ADH1A, ADH7 SMN1; SMN2 4370/4885MEN1 3249/4885KMT2A 3000/4885

“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.