Sugi Predict

Sugi Predict / Compounds / SCHEMBL3345953

SCHEMBL3345953

SCHEMBL3345953

Nc1c([N+](=O)[O-])ccc(F)c1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 5/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 6/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HIF1A Q16665 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CTSB P07858 1/20 0.42
▸ VCAM1 P19320 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TTR P02766 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL34460054 1.00 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2TDP1ATM
SCHEMBL6978734 0.82 TDP1 (0.50) ALDH1A1MAPTSMN1; SMN2TDP1ATM
SCHEMBL938956 0.80 TDP1 (0.48) ALDH1A1MAPTSMN1; SMN2TDP1ATM
SCHEMBL29711979 0.80 TDP1 (0.48) ALDH1A1MAPTSMN1; SMN2TDP1ATM
SCHEMBL660797 0.80 TDP1 (0.48) ALDH1A1MAPTSMN1; SMN2TDP1ATM
SCHEMBL15347823 0.78 TDP1 (0.47) ALDH1A1MAPTTDP1ATMHIF1A
SCHEMBL22833410 0.77 CYP1A2 (0.52) ALDH1A1MAPTSMN1; SMN2TDP1ATM
SCHEMBL10835047 0.77 GPR35 (0.50) ALDH1A1MAPTSMN1; SMN2TDP1ATM
SCHEMBL33527983 0.77 TDP1 (0.50) ALDH1A1MAPTSMN1; SMN2TDP1ATM
SCHEMBL29069638 0.77 TDP1 (0.52) ALDH1A1MAPTTDP1ATMHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720037-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 — — EP disclosed
US-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors THE FIRST AFFILIATED HOSPITAL OF XI'AN JIAOTONG UNIVERSITY (CN) 2026-02-05 — — US disclosed
WO-2024259303-A1 COMPOUNDS AND COMPOSITIONS AS CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A SK LIFE SCIENCE LABS (US) 2024-12-19 — — WO disclosed
WO-2024097948-A1 DEGRADERS OF MDM2 AND USES THEREOF ROIVANT DISCOVERY, INC. (US) 2024-05-10 — — WO disclosed
CN-116848100-A NOTCH inhibitors and uses thereof 干细胞协同疗法有限责任公司 2023-10-03 — — CN disclosed
US-20230183215-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-15 — — US disclosed
US-20230183215-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-15 — — US disclosed
CN-110382505-B Heterocyclic compounds useful as antibacterial agents and process for producing the same 巴格沃克斯研究有限公司 2023-04-04 — — CN disclosed
EP-4153575-A1 NOTCH INHIBITORS AND USES THEREOF StemSynergy Therapeutics, Inc. (US) 2023-03-29 — — EP disclosed
EP-3634968-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION THEREOF BUGWORKS RES INC (US) 2023-01-25 — — EP disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 — — US disclosed
WO-2015081246-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 — — WO disclosed
US-20150148372-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 — — US disclosed
WO-2014022752-A1 MACROCYCLES AS PIM INHIBITORS AMGEN INC. (US) 2014-02-06 — — WO disclosed
WO-2014022752-A1 MACROCYCLES AS PIM INHIBITORS AMGEN INC. (US) 2014-02-06 — — WO disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 — — WO disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 — — WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 — — WO disclosed
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 — — WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 — — 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 (4 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-20260034105-A1 Generative AI-Assisted Identification of Novel PI3K-alpha Inhibitors PIK3R1, PIK3R4, PIK3R2 ALDH1A1 1585/4885MAPT 4207/4885SMN1; SMN2 4673/4885
US-20150148372-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 ALDH1A1 4585/4885MAPT 1648/4885SMN1; SMN2 4439/4885
US-20150329538-A1 AMIDES AS PIM INHIBITORS PIM1, PIM3, PIM2 ALDH1A1 720/4885MAPT 3261/4885SMN1; SMN2 3994/4885
US-20230183215-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 ALDH1A1 2288/4885MAPT 3735/4885SMN1; SMN2 4659/4885

“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.