SCHEMBL533864

SCHEMBL533864

N#CCc1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
IDO1 P14902 2/20 0.45
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CFTR P13569 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CSNK2A1 P68400 2/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL29385884 1.00 ALDH1A1 (0.47) ALDH1A1HPGDTAAR1IDO1CYP1A2
SCHEMBL28195805 0.85 ALDH1A1 (0.38) ALDH1A1HPGDTAAR1IDO1CYP1A2
SCHEMBL1945874 0.82 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL29809738 0.82 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL23210828 0.79 ALDH1A1 (0.38) ALDH1A1HPGDTAAR1IDO1CFTR
SCHEMBL27158744 0.79 ALDH1A1 (0.38) ALDH1A1HPGDTAAR1IDO1CFTR
SCHEMBL5163205 0.76 TAAR1 (0.52) ALDH1A1HPGDTAAR1IDO1CYP1A2
SCHEMBL3917506 0.76 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL7467220 0.76 ALDH1A1 (0.43) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1
SCHEMBL8763318 0.75 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119872033-A High-air-permeability wear-resistant medical composite fabric and preparation method thereof 苏州冰蓝服饰有限公司 2025-04-25 CN claimed
CN-116217854-B Conjugated microporous polymeric material and application thereof in photoinduction controllable free radical polymerization 福州大学 2025-01-17 CN claimed
CN-116217854-A Conjugated microporous polymeric material and application thereof in photoinduction controllable free radical polymerization 福州大学 2023-06-06 CN claimed
CN-108002991-B Visible light catalytic halogenated aromatic hydrocarbon dehalogenation method without photooxidation-reduction catalyst 陕西师范大学 2021-01-05 CN claimed
CN-109305970-B Preparation and application of 1, 7-disubstituted aminomethyl-2, 8-dihydroxy-Tr ger's Base catalyst 江苏师范大学 2020-03-10 CN claimed
JP-8217727-A None JP disclosed
CN-119872033-A High-air-permeability wear-resistant medical composite fabric and preparation method thereof 苏州冰蓝服饰有限公司 2025-04-25 CN disclosed
CN-119872033-A High-air-permeability wear-resistant medical composite fabric and preparation method thereof 苏州冰蓝服饰有限公司 2025-04-25 CN disclosed
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-02-27 US disclosed
CN-116217854-B Conjugated microporous polymeric material and application thereof in photoinduction controllable free radical polymerization 福州大学 2025-01-17 CN disclosed
US-12187721-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2025-01-07 US disclosed
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
JP-H08217727-A PRODUCTION OF HALOGENOPHENYLACETIC ESTER SUMITOMO SEIKA CHEM CO LTD 1996-08-27 JP disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed
US-4360511-A Amines useful as brain imaging agents MEDI-PHYSICS, INC. (US) 1982-11-23 US disclosed
EP-0011858-A1 Radioiodine containing amines, their preparation and their use as brain imaging agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 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-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C ALDH1A1 1850/4885HPGD 1588/4885TAAR1 2229/4885
US-12187721-B2 Protein tyrosine phosphatase inhibitors PPM1A, PTP4A1, PPP5C ALDH1A1 1775/4885HPGD 1616/4885TAAR1 2213/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1608/4885HPGD 3686/4885TAAR1 686/4885

“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.