SCHEMBL29425311

SCHEMBL29425311

CCc1nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ CACNA1H O95180 9/20 0.46
▸ CACNA1C Q13936 4/20 0.46
▸ CACNA1B Q00975 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CACNA1G O43497 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TXNRD1 Q16881 1/20 0.44
▸ TXNRD3 Q86VQ6 1/20 0.44
▸ TXNRD2 Q9NNW7 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 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
SCHEMBL27202408 1.00 GAA (0.53) GAACACNA1HCACNA1CCACNA1BCYP3A4
SCHEMBL8855614 0.81 MAPT (0.52) GAACACNA1HCACNA1CCACNA1BCYP3A4
SCHEMBL8855484 0.80 MAPT (0.51) GAACACNA1HCACNA1CCACNA1BCYP3A4
SCHEMBL11644077 0.80 MAPT (0.51) GAACACNA1HCACNA1CCACNA1BCYP3A4
SCHEMBL2418755 0.80 CYP3A4 (0.55) CACNA1HCACNA1CCACNA1BCYP3A4TSHR
SCHEMBL10284964 0.77 CACNA1H (0.73) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL8855556 0.77 ALDH1A1 (0.45) GAACACNA1HCACNA1CCACNA1BCYP3A4
SCHEMBL8855536 0.77 CYP3A4 (0.49) GAACACNA1HCACNA1CCACNA1BCYP3A4
SCHEMBL8855544 0.77 MAPT (0.46) GAACACNA1HCACNA1CCACNA1BCYP3A4
SCHEMBL10284437 0.76 CACNA1H (0.51) GAACACNA1HCACNA1CCACNA1BCACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4150766-B1 EXPLOITING LOCALITY OF PRIME DATA FOR EFFICIENT RETRIEVAL OF DATA THAT HAS BEEN LOSSLESSLY REDUCED USING A PRIME DATA SIEVE ASCAVA INC (US) 2026-03-25 — — EP disclosed
US-12586229-B2 Computer implemented methods and devices for determining dimensions and distances of head features CARL ZEISS VISION INTERNATIONAL GMBH (DE) 2026-03-24 — — US disclosed
US-20260072877-A1 LOSSLESS DATA REDUCTION ASCAVA, INC. (US) 2026-03-12 — — US disclosed
US-12505073-B2 Organizing prime data elements using a tree data structure ASCAVA, INC. (US) 2025-12-23 — — US disclosed
US-12486363-B2 Process for preparing a polysulfone (PSU) polymer SYENSQO SPECIALTY POLYMERS USA, LLC (US) 2025-12-02 — — US disclosed
EP-4118565-B1 COMPUTER IMPLEMENTED METHODS AND DEVICES FOR DETERMINING DIMENSIONS AND DISTANCES OF HEAD FEATURES ZEISS CARL VISION INT GMBH (DE) 2025-10-15 — — EP disclosed
US-20250311527-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS INCLUDING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2025-10-02 — — US disclosed
WO-2024250103-A1 AUTONOMOUS DISPATCH OF FLEET VEHICLES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-12 — — WO disclosed
CN-119080856-A Mutant tRNA for codon extension 中外制药株式会社 2024-12-06 — — CN disclosed
EP-3616405-B1 LOSSLESS REDUCTION OF DATA BY USING A PRIME DATA SIEVE AND PERFORMING MULTIDIMENSIONAL SEARCH AND CONTENT-ASSOCIATIVE RETRIEVAL ON DATA THAT HAS BEEN LOSSLESSLY REDUCED USING A PRIME DATA SIEVE ASCAVA INC (US) 2024-11-27 — — EP disclosed
US-20220396668-A1 PROCESS FOR PREPARING A POLYSULFONE (PSU) POLYMER SYENSQO SPECIALTY POLYMERS USA, LLC 2022-12-15 — — US disclosed
CN-115428042-A Computer-implemented method and apparatus for determining size and distance of head features 卡尔蔡司股份公司 2022-12-02 — — CN disclosed
WO-2022174035-A2 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2022-08-18 — — WO disclosed
EP-4026906-A1 COMPOSITION FOR TRANSLATION, AND METHOD FOR PRODUCING PEPTIDE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-07-13 — — EP disclosed
CN-114729124-A Process for preparing Polysulfone (PSU) polymers 索尔维特殊聚合物美国有限责任公司 2022-07-08 — — CN disclosed
US-20220205009-A1 MUTATED tRNA FOR CODON EXPANSION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-06-30 — — US disclosed
US-11363296-B2 Lossless reduction of data by using a prime data sieve and performing multidimensional search and content-associative retrieval on data that has been losslessly reduced using a prime data sieve ASCAVA, INC. (US) 2022-06-14 — — US disclosed
US-11279966-B2 Method for identifying compound for inhibiting an activity of a histone lysine demethylase NATIONAL TSING HUA UNIVERSITY (TW) 2022-03-22 — — US disclosed
EP-3238344-B1 LOSSLESS REDUCTION OF DATA BY DERIVING DATA FROM PRIME DATA ELEMENTS RESIDENT IN A CONTENT-ASSOCIATIVE SIEVE ASCAVA INC (US) 2022-03-09 — — EP disclosed
US-20220066994-A1 EFFICIENT RETRIEVAL OF DATA THAT HAS BEEN LOSSLESSLY REDUCED USING A PRIME DATA SIEVE ASCAVA, INC. (US) 2022-03-03 — — 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 (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-12586229-B2 Computer implemented methods and devices for determining dimensions and distances of head features CSPP1, CEP170, DCX GAA 4411/4885CACNA1H 395/4885CACNA1C 1417/4885
US-20260072877-A1 LOSSLESS DATA REDUCTION LIMK2, LIMK1, NEK9 GAA 4583/4885CACNA1H 981/4885CACNA1C 2283/4885
US-20250311527-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS INCLUDING SAME OR10J3, ORC3, AOC2 GAA 1007/4885CACNA1H 1173/4885CACNA1C 1373/4885

“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.

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