SCHEMBL74124

SCHEMBL74124

[CH2]CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
IDO1 P14902 1/20 0.50
CRBN Q96SW2 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL9395356 0.84 MAPT (0.57) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL8746689 0.83 ALDH1A1 (0.54) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL8746687 0.83 ALDH1A1 (0.64) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL18690302 0.80 MAPT (0.47) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL10741564 0.79 IDO1 (0.54) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL3646086 0.79 MAPT (0.51) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2026375 0.79 MAPT (0.51) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL11270645 0.79 ALDH1A1 (0.51) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL10652156 0.79 MAPT (0.55) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL7297643 0.78 MAPT (0.58) ALDH1A1MAPTPOLBMEN1KMT2A

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 1953 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605310-B Synthesis method of aza five-membered ring and three-membered ring carboxylic ester derivative and salt thereof 都创(上海)医药科技股份有限公司 2024-05-07 CN claimed
EP-3838890-B1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE NEUBORON MEDTECH LTD (CN) 2023-10-04 EP claimed
US-20230242555-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE NEUBORON MEDTECH LTD. (CN) 2023-08-03 US claimed
CN-110835310-B Intermediate, preparation method and application 南京中硼联康医疗科技有限公司 2022-09-20 CN claimed
WO-2022123501-A1 PROTECTED DEOXYDIDEHYDRO-NUCLEOSIDES VICTORIA LINK LIMITED (NZ) 2022-06-16 WO claimed
CN-114605310-A Synthesis method of aza five-membered ring and three-membered ring carboxylate derivative and salt thereof 都创(上海)医药科技股份有限公司 2022-06-10 CN claimed
CN-110835352-B Preparation method18Process for F-BPA 南京中硼联康医疗科技有限公司 2022-05-24 CN claimed
CN-114436929-A Synthesis method of N-protected 3, 4-dehydro-L-proline ester 都创(重庆)医药科技有限公司 2022-05-06 CN claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
WO-2010006954-A1 NOVEL N-SUBSTITUTED BETA-AMINO ACID ESTERS DSM IP ASSETS B.V. (NL) 2010-01-21 WO claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
US-20240228486-A1 SULFONE- AND SULFOXIMINE-BASED SELECTIVE PARP1 INHIBITORS ENLIVEN INC (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-4492694-A ORAL ADMINISTRATION ELI LILLY AND COMPANY (US) 1985-01-08 US disclosed
US-4482553-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1984-11-13 US disclosed
EP-0122156-A2 Improvements in or relating to benzothienylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed
EP-0122157-A2 Improvements in or relating to indolylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 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 (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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A ALDH1A1 1207/4885MAPT 4372/4885POLB 4728/4885
US-20230242555-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE CYP19A1, SHBG, ESR1 ALDH1A1 506/4885MAPT 1915/4885POLB 402/4885
US-20240228486-A1 SULFONE- AND SULFOXIMINE-BASED SELECTIVE PARP1 INHIBITORS PARP2, PARP1, PARP12 ALDH1A1 1846/4885MAPT 3531/4885POLB 155/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C ALDH1A1 1555/4885MAPT 3123/4885POLB 4833/4885

“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.