Sugi Predict

Sugi Predict / Compounds / SCHEMBL799695

SCHEMBL799695

SCHEMBL799695

Cc1cccnc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ PAX8 Q06710 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL31519367 0.81 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL31573906 0.79 NPC1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL19477584 0.78 KMT2A (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL29579675 0.77 PDE10A (0.58) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL294121 0.77 PDE10A (0.58) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL5643188 0.77 PDE10A (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL10561858 0.76 KMT2A (0.58) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL8895433 0.75 TSHR (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL251801 0.75 MAPT (0.45) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL541486 0.75 NPC1 (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206544-A Small molecule inhibitor acting on PARP1 and preparation method thereof 上海傲图智药生物医药有限公司 2024-06-18 — — CN claimed
CN-109535069-B Diamine monomer and preparation method thereof, and polyimide and preparation method thereof 吉林大学 2020-05-08 — — CN claimed
CN-109535069-A A kind of diamine monomer and preparation method thereof and polyimides and preparation method thereof 吉林大学 2019-03-29 — — CN claimed
CN-105646489-A 7-azaindole and preparation method thereof 叶芳 2016-06-08 — — CN claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 — — US claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 — — CN claimed
CN-101103014-A N-heterocyclyl phthalic acid diamides as insecticides BAYER CROPSCIENCE AG (DE) 2008-01-09 — — CN claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 — — US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 — — US claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 — — CN claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 — — EP claimed
EP-0282978-B1 Surface acoustic wave convolver with dielectric film of high non-linear effect CANON KK (JP) 1993-12-01 — — EP claimed
CN-118206544-A Small molecule inhibitor acting on PARP1 and preparation method thereof 上海傲图智药生物医药有限公司 2024-06-18 — — CN disclosed
US-20230322797-A1 SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS CAMBREX CORPORATION 2023-10-12 — — US disclosed
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 — — US disclosed
US-20230193231-A1 ENGINEERED GENE-EDITING PROTEINS FACTOR BIOSCIENCE INC. 2023-06-22 — — US disclosed
US-4812454-A Nitromethylene derivatives and their use as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 — — US disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 — — US disclosed
CN-86106238-A New nitromethylene derivatives — 1987-04-08 — — CN disclosed
EP-0212600-A2 Nitromethylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1987-03-04 — — 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 (2 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-20230322797-A1 SOLID FORMS, PHARMACEUTICAL COMPOSITIONS AND PREPARATION OF HETEROAROMATIC MACROCYCLIC ETHER COMPOUNDS CYP11B2, CYP4A11, CYP11B1 ALDH1A1 956/4885KMT2A 1886/4885SMN1; SMN2 917/4885
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors TYK2, JAK1, JAK3 ALDH1A1 3573/4885KMT2A 66/4885SMN1; SMN2 1756/4885

“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.