SCHEMBL10029025

SCHEMBL10029025

C[C@H]1CN2C(=N1)Sc1ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
MAOA P21397 1/20 0.40
KDM1A O60341 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
CHRM3 P20309 2/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
DRD3 P35462 2/20 0.35
HTR2B P41595 2/20 0.35
ABCB11 O95342 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL10029022 1.00 NPC1 (0.63) NPC1MAOAKDM1ASMN1; SMN2LMNA
SCHEMBL31374399 0.78 NPC1 (1.00) NPC1MAOASMN1; SMN2LMNAMEN1
SCHEMBL11007692 0.78 NPC1 (1.00) NPC1MAOASMN1; SMN2LMNAMEN1
SCHEMBL14240664 0.78 NPC1 (1.00) NPC1MAOASMN1; SMN2LMNAMEN1
SCHEMBL31006910 0.78 NPC1 (1.00) NPC1MAOASMN1; SMN2LMNAMEN1
SCHEMBL25226606 0.78 NPC1 (1.00) NPC1MAOASMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL11004465 0.76 NPC1 (0.97) NPC1MAOASMN1; SMN2LMNAMEN1
SCHEMBL11349393 0.76 NPC1 (0.55) NPC1MAOAKDM1ACYP1A2CYP2D6
SCHEMBL30819142 0.76 NPC1 (0.55) NPC1MAOAKDM1ASMN1; SMN2LMNA
SCHEMBL11211653 0.73 NPC1 (0.79) NPC1LMNACYP1A2CYP2D6ADRA2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251316-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-02-21 EP disclosed
US-9796640-B2 Method for producing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-24 US disclosed
US-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-01-12 US disclosed
US-9315442-B2 Method for manufacturing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2016-04-19 US disclosed
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Educational Foundation Administration Organization (JP) 2014-05-15 US disclosed
US-8552215-B2 Method for producing optically active 2-hydroxy ester and novel intermediate compound TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2013-10-08 US disclosed
US-8115008-B2 Method for producing optically active ester and method for producing optically active carboxylic acid TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-02-14 US disclosed
US-20110319650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2011-12-29 US disclosed
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-16 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 (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-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ADH1A, ALDH1A2, ADH1C NPC1 3145/4885MAOA 718/4885KDM1A 1239/4885
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ACADM, ADH5, ALDH7A1 NPC1 4533/4885MAOA 481/4885KDM1A 2157/4885
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ALDH1A2, ADH1C, ADH1A NPC1 4636/4885MAOA 801/4885KDM1A 1915/4885
US-20110319650-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND CA7, HAO2, HACL2 NPC1 4633/4885MAOA 2134/4885KDM1A 2877/4885

“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.