Sugi Predict

Sugi Predict / Compounds / SCHEMBL229897

SCHEMBL229897

SCHEMBL229897

Cc1ccc(C=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP2A6 P11509 1/20 0.46
▸ ALDH1A3 P47895 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ TUBB1 Q9H4B7 2/20 0.42
▸ ERN1 O75460 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ AOX1 Q06278 1/20 0.38
▸ TRIM24 O15164 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH5A1 P51649 1/20 0.38
▸ ABAT P80404 1/20 0.38
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL29453098 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP2A6ALDH1A3TSHR
SCHEMBL336067 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP2A6ALDH1A3TSHR
SCHEMBL29642252 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP2A6ALDH1A3TSHR
SCHEMBL18255202 0.79 XDH (0.48) ALDH1A1TUBB1ERN1KDM4EHDAC1
SCHEMBL9103436 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP2A6ALDH1A3KDM4E
SCHEMBL20395748 0.79 TRIM24 (0.50) ALDH1A1ERN1KIF11TRIM24TRIM33
SCHEMBL48607 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2A6TSHRKDM4E
SCHEMBL29350085 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6ALDH1A3TSHRTUBB1
SCHEMBL98097 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6ALDH1A3TSHRTUBB1
SCHEMBL29389102 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2A6TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640106-B Phenylpiperazine compound and preparation method and application thereof 郑州大学 2024-03-08 — — CN claimed
CN-116640106-A Phenylpiperazine compound and preparation method and application thereof 郑州大学 2023-08-25 — — CN claimed
CN-114409595-A 1-styryl isoquinoline derivative and preparation and application thereof 南华大学附属第一医院 2022-04-29 — — CN claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 — — US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 — — CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 — — US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 — — EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 — — WO claimed
EP-2275412-A1 Indole and benzimidazole derivatives Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-19 — — EP claimed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 — — US claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 — — US claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 — — EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 — — EP claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 — — US claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 — — WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 — — EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 — — EP claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC ALDH1A1 4861/4885SMN1; SMN2 4783/4885CYP2A6 4487/4885

“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.