Sugi Predict

Sugi Predict / Compounds / SCHEMBL466413

SCHEMBL466413

SCHEMBL466413

CCCc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.60
▸ TSHR P16473 2/20 0.48
▸ IDO1 P14902 2/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ PYCR1 P32322 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ GPR52 Q9Y2T5 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2A13 Q16696 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
SCHEMBL30436408 1.00 TAAR1 (0.60) TAAR1TSHRIDO1CYP1A2CYP2D6
Phosphine SCHEMBL25197288 0.98 TAAR1 (0.58) TAAR1TSHRIDO1CYP1A2CYP2D6
Formaldehyde SCHEMBL27470980 0.93 TAAR1 (0.54) TAAR1TSHRIDO1CYP1A2CYP2D6
Propionaldehyde SCHEMBL27650417 0.88 TAAR1 (0.48) TAAR1TSHRIDO1CYP1A2CYP2D6
SCHEMBL27650416 0.86 TAAR1 (0.47) TAAR1TSHRIDO1CYP1A2CYP2D6
SCHEMBL4450889 0.86 TAAR1 (0.56) TAAR1TSHRIDO1CYP1A2CYP2D6
SCHEMBL9175229 0.84 LIPG (0.55) TAAR1TSHRIDO1
SCHEMBL29351396 0.84 TAAR1 (0.71) TAAR1TSHRIDO1CYP1A2CYP2D6
SCHEMBL6738136 0.84 TAAR1 (0.71) TAAR1TSHRIDO1CYP1A2CYP2D6
SCHEMBL31591893 0.82 LIPG (0.58) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835998-A Self-repairable dielectric elastomer film capable of overcoming power and electricity instability, preparation method and dielectric driver 浙江大学 2022-08-02 — — CN claimed
CN-112645971-B Method for directly preparing alkyl borate compound from alkyl halide 中国科学院兰州化学物理研究所 2021-12-24 — — CN claimed
CN-1234459-C Application method of solid acid catalyst CHINA PETROCHEMICAL CORP (CN) 2006-01-04 — — CN claimed
CN-1234460-C Regeneration process for solid acid catalyst CHINA PETROCHEMICAL CROP (CN) 2006-01-04 — — CN claimed
CN-1541768-A Application method of solid acid catalyst 中国石油化工股份有限公司 2004-11-03 — — CN claimed
CN-1520928-A Regeneration process for solid acid catalyst 中国石油化工股份有限公司 2004-08-18 — — CN claimed
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2025-02-27 — — US disclosed
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2025-01-23 — — US disclosed
EP-4164481-B1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH NANOSE MEDICAL LTD (IL) 2024-10-16 — — EP disclosed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 — — US disclosed
CN-117658959-A Polysubstituted polysulfide furan derivative and preparation method and application thereof 广东药科大学 2024-03-08 — — CN disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 — — US disclosed
WO-2023164114-A2 BACTERIAL BIOFILM INHIBITORS THE RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2023-08-31 — — WO disclosed
US-4554160-A Penicillin esters, salts thereof and methods for their preparation LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1985-11-19 — — US disclosed
US-RE31300-E Process for preparing alkyl- or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1983-07-05 — — US disclosed
US-4377712-A Preparation of meta-substituted diaryl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1983-03-22 — — US disclosed
EP-0049981-A1 Valienamine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-04-21 — — EP disclosed
US-RE30279-E FROM ALKYL OR ARYL HALIDE WITH HALO-SUBSTITUTED TRIVALENT PHOSPHORUS COMPOUNDS AND PHOSPHORUS PENTASULFIDE OR -OXIDE STAUFFER CHEMICAL COMPANY (US) 1980-05-20 — — US disclosed
US-4076746-A FROM AN ALKYL OR ARYL HALIDE AND PHOSPHORUS SESQUISULFIDE STAUFFER CHEMICAL COMPANY (US) 1978-02-28 — — US disclosed
US-3968156-A Process for preparing alkyl-or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1976-07-06 — — US 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS TAAR1 4856/4885TSHR 4359/4885IDO1 4610/4885
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TAAR1 447/4885TSHR 1029/4885IDO1 1758/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 TAAR1 313/4885TSHR 533/4885IDO1 1840/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 TAAR1 447/4885TSHR 1029/4885IDO1 1758/4885

“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.