Sugi Predict

Sugi Predict / Compounds / SCHEMBL1127011

SCHEMBL1127011

SCHEMBL1127011

O=[N+]([O-])c1ccc(N2CCCCC2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ GAA P10253 1/20 0.69
▸ LMNA P02545 3/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ CYP1A2 P05177 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SLC6A9 P48067 1/20 0.59
▸ SLC6A5 Q9Y345 1/20 0.59
▸ MAPT P10636 5/20 0.59
▸ THRB P10828 1/20 0.59
▸ HTT P42858 2/20 0.57
▸ MITF O75030 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57

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
SCHEMBL85672 1.00 ALDH1A1 (0.73) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL30928952 1.00 ALDH1A1 (0.73) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL4921368 0.98 ALDH1A1 (0.75) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL5697459 0.95 ALDH1A1 (0.68) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL6687570 0.93 MAPT (0.69) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL14464189 0.92 ALDH1A1 (0.79) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL18396735 0.88 ALDH1A1 (0.66) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL30843930 0.87 GAA (0.65) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL1640562 0.86 ALDH1A1 (0.60) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL5058298 0.86 ALDH1A1 (0.71) ALDH1A1KMT2AGAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4434980-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE Hangzhou HealZen Therapeutics Co., Ltd. (CN) 2024-09-25 — — EP disclosed
CN-113880813-B 2-Aminopyrimidine heterocyclic compound and application thereof 杭州百诚医药科技股份有限公司 2024-05-28 — — CN disclosed
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 — — US disclosed
CN-113880813-A 2-aminopyrimidine heterocyclic compound and application thereof 杭州百诚医药科技股份有限公司 2022-01-04 — — CN disclosed
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 — — EP disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 — — US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 — — US disclosed
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 — — US disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 — — US disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 — — US disclosed
US-7037927-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-05-02 — — US disclosed
WO-2006018662-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY PROSIDION LIMITED (GB) 2006-02-23 — — WO disclosed
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-04-21 — — US disclosed
EP-0970040-B1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 2002-06-12 — — EP disclosed
EP-0970040-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES Clariant GmbH (DE) 2000-01-12 — — EP disclosed
US-5990309-A 2-chloro-5-fluoro-4-morpholinonitrobenzene and 2-chloro-5-fluoro-4-morpholinoaniline CLARIANT GMBH (DE) 1999-11-23 — — US disclosed
US-5917037-A Process for the preparation of n-carboxyalkyl-3-fluoro-4-dialkylaminoanilines CLARIANT GMBH (DE) 1999-06-29 — — US disclosed
US-5917036-A Process for the preparation of N-carboxyalkyl-3-fluoro-4-dialkylaminoanilines CLARIANT GMBH (DE) 1999-06-29 — — US disclosed
WO-1998040348-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 1998-09-17 — — WO disclosed
EP-0863129-A1 Process for the preparation of N-carboxyalkyl-3-fluoro-4-diaklylaminoanilines Clariant GmbH (DE) 1998-09-09 — — 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 (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-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK ALDH1A1 4165/4885KMT2A 2054/4885GAA 2699/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A ALDH1A1 213/4885KMT2A 2691/4885GAA 3246/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 ALDH1A1 4230/4885KMT2A 1429/4885GAA 1807/4885

“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.