SCHEMBL298523

SCHEMBL298523

Cc1nn(C)cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NAMPT P43490 1/20 0.46
ALPL P05186 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALKBH1 Q13686 1/20 0.42
NOTUM Q6P988 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40

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
Hydrochloric Acid SCHEMBL10666393 0.98 GAA (0.50) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL29052430 0.86 GAA (0.42) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL32683914 0.86 GAA (0.41) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL17007815 0.83 GAA (0.49) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL1639886 0.83 GAA (0.51) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL29052434 0.82 GAA (0.40) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL1224892 0.81 GAA (0.50) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL27708829 0.81 GAA (0.50) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL976056 0.81 GAA (0.50) GAASMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL6642192 0.80 GAA (0.38) GAASMN1; SMN2RAB9ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480007-B Synthetic method of 1,3-dimethyl-1H-pyrazole-4-carboxylic acid 宿迁市科莱博生物化学有限公司 2022-11-18 CN claimed
CN-110372594-B Synthesis method of 1, 3-dimethyl-1H-pyrazole-4-formic acid 苏州汉德创宏生化科技有限公司 2022-03-29 CN claimed
CN-114014809-A Synthetic method of 1, 3-dimethyl-1H-pyrazole-4-carboxylic acid 宁夏常晟药业有限公司 2022-02-08 CN claimed
CN-112480007-A Synthetic method of 1, 3-dimethyl-1H-pyrazole-4-carboxylic acid 宿迁市科莱博生物化学有限公司 2021-03-12 CN claimed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP claimed
CN-110372594-A The synthetic method of 1,3- dimethyl -1H- pyrazoles -4- formic acid 苏州汉德创宏生化科技有限公司 2019-10-25 CN claimed
CN-108117520-A A kind of 1,3- dimethyl -1H- pyrazoles -4- amide derivatives and preparation method and application 浙江工业大学 2018-06-05 CN claimed
EP-2507230-B1 INSECTICIDAL COMPOUNDS BASED ON ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-17 EP claimed
CN-107033084-A A kind of acyl urea compound for containing 1,3 dimethyl 1H pyrrazole structures and its preparation method and application 浙江工业大学 2017-08-11 CN claimed
CN-107033082-A A kind of acyl thiourea compound for containing 1,3 dimethyl 1H pyrrazole structures and its preparation method and application 浙江工业大学 2017-08-11 CN claimed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP claimed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP claimed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US claimed
CN-101568536-A 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN claimed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP claimed
CN-101522618-A 3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN claimed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP claimed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO claimed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 GAA 3717/4885SMN1; SMN2 3816/4885RAB9A 2176/4885

“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.