Sugi Predict

Sugi Predict / Compounds / SCHEMBL95534

SCHEMBL95534

SCHEMBL95534

CCC[N]c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ NOS3 P29474 4/20 0.38
▸ NOS1 P29475 4/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ATM Q13315 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ MIF P14174 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ SLC22A3 O75751 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ PLAU P00749 1/20 0.33

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
SCHEMBL49576 0.85 LTA4H (0.38) ALDH1A1NOS3NOS1NOS2SMN1; SMN2
SCHEMBL96272 0.83 LTA4H (0.38) ALDH1A1TP53SMN1; SMN2TSHRMAPK1
SCHEMBL8029164 0.83 ALDH1A1 (0.50) ALDH1A1NOS3NOS1NPC1RAB9A
SCHEMBL6716782 0.81 MEN1 (0.40) ALDH1A1TP53SMN1; SMN2MAPK1MEN1
SCHEMBL6717183 0.81 MEN1 (0.40) ALDH1A1TP53SMN1; SMN2MAPK1MEN1
SCHEMBL6542019 0.81 MEN1 (0.40) ALDH1A1TP53SMN1; SMN2MAPK1MEN1
SCHEMBL1669437 0.81 MEN1 (0.40) ALDH1A1TP53SMN1; SMN2MAPK1MEN1
SCHEMBL5964912 0.81 MEN1 (0.40) ALDH1A1TP53SMN1; SMN2MAPK1MEN1
SCHEMBL96871 0.81 MEN1 (0.40) ALDH1A1TP53SMN1; SMN2MAPK1MEN1
SCHEMBL3542927 0.81 MEN1 (0.40) ALDH1A1TP53SMN1; SMN2MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 — — US claimed
EP-4313943-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-02-07 — — EP claimed
CN-117342910-A Preparation method of monosubstituted cyclopentadiene 江苏南大光电材料股份有限公司 2024-01-05 — — CN claimed
CN-117024456-A Condensed cyclic compound, material containing the same, and organic electroluminescent device 中国科学院理化技术研究所 2023-11-10 — — CN claimed
CN-117043140-A Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances 拜耳公司 2023-11-10 — — CN claimed
CN-114345339-B Supported binary metal catalyst, preparation method and application thereof 厦门大学 2023-02-21 — — CN claimed
WO-2022200208-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2022-09-29 — — WO claimed
CN-114345339-A Supported binary metal catalyst, preparation method and application thereof 厦门大学 2022-04-15 — — CN claimed
CN-111234057-B Silica gel carrier, silica gel-loaded alkylaluminium metallocene catalyst, long-chain branched polyethylene, and preparation method and application thereof 上海弘岸化工有限公司 2022-03-22 — — CN claimed
CN-112390811-A Dithia-anthrone derivative and preparation method and application thereof 中国科学院理化技术研究所 2021-02-23 — — CN claimed
US-5457096-A Antibiotic AMERICAN CYANAMID COMPANY (US) 1995-10-10 — — US claimed
US-5420272-A 7-(substituted)-8-(substituted)-9-](substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1995-05-30 — — US claimed
US-5328902-A Antibiotics AMERICAN CYANAMID CO. (US) 1994-07-12 — — US claimed
EP-0582810-A1 Novel 7-(substituted)-8-(substituted)-9-(substituted amino)-6-demethyl-6-deoxyetracyclines as antibiotic agents AMERICAN CYANAMID COMPANY (US) 1994-02-16 — — EP claimed
EP-0177740-B1 ACYLATED SACCHARINE DERIVATIVES BAYER AG (DE) 1988-09-28 — — EP claimed
US-4713389-A Fungicidally and bactericidally active acylated saccharin derivatives BAYER AKTIENGESELLSCHAFT (DE) 1987-12-15 — — US claimed
EP-0177740-A1 Acylated saccharine derivatives BAYER AG (DE) 1986-04-16 — — EP claimed
US-4447422-A Penicillins and compositions containing them BEECHAM GROUP P.1.C. (GB) 1984-05-08 — — US claimed
EP-0087709-A1 N,N',N\"-triaryl-1,2,3-triaminopropane derivatives, process for their preparation and their use as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-07 — — EP claimed
EP-0067610-A1 Penicillins, a process for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-12-22 — — EP 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-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES HPD, DDT, PPOX ALDH1A1 315/4885NOS3 421/4885NOS1 426/4885

“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.