SCHEMBL320245

SCHEMBL320245

B.CN(C)c1ccncc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.94
CHKA P35790 1/20 0.94
MAPT P10636 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALOX15 P16050 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
CASP1 P29466 1/20 0.60
RAB9A P51151 1/20 0.60
HBB P68871 1/20 0.60
ALDH1A1 P00352 7/20 0.56
TSHR P16473 4/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.41

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
Fluoride SCHEMBL17966130 0.97 CHRM5 (0.89) CHRM5CHKAMAPTSMN1; SMN2ALOX15
SCHEMBL189 0.97
SCHEMBL8664726 0.97 CHRM5 (1.00) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Bromide SCHEMBL393565 0.94 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
SCHEMBL4405649 0.94 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Phosphine SCHEMBL23270013 0.94 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Bromide SCHEMBL1542160 0.94 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Bromide SCHEMBL393564 0.94 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL9013636 0.94 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15
SCHEMBL2277093 0.94 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457338-B Alpha-selective hydroboration reaction method of electron-deficient olefin 中国科学技术大学 2022-01-14 CN claimed
CN-112457338-A Alpha-selective hydroboration reaction method of electron-deficient olefin 中国科学技术大学 2021-03-09 CN claimed
CN-107188811-B A method of reduction thioamide analog compound 阿里生物新材料(常州)有限公司 2019-02-19 CN claimed
CN-107188811-A A kind of method for reducing thioamide analog compound 阿里化学(常州)有限公司 2017-09-22 CN claimed
EP-0680484-B1 OPTICALLY ACTIVE BETA-AMINOALKOXYBORANE COMPLEXES NISSAN CHEMICAL IND LTD (JP) 1998-08-19 EP claimed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 CN disclosed
EP-3146027-B1 LUBRICANT COMPOSITION COMPRISING HYDROXY FUNCTIONALIZED ASHLESS ADDITIVE LUBRIZOL CORP (US) 2023-12-13 EP disclosed
WO-2023176487-A1 METHOD FOR PRODUCING L-PENICILLAMINE 株式会社カネカ 2023-09-21 WO disclosed
CN-114516815-A Controllable defluorination deuteration method for polyfluoroamide 中国科学技术大学 2022-05-20 CN disclosed
CN-112457338-B Alpha-selective hydroboration reaction method of electron-deficient olefin 中国科学技术大学 2022-01-14 CN disclosed
CN-112457338-B Alpha-selective hydroboration reaction method of electron-deficient olefin 中国科学技术大学 2022-01-14 CN disclosed
US-5739347-A REDUCING AGENTS FOR DECARBONYLATION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-04-14 US disclosed
US-5663348-A REDUCTION OF DIKETONE WITH AMINOALKOXYBORANE COMPLEX TO FORM DIALCOHOL ESTER COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1997-09-02 US disclosed
CN-1116850-A Optically active beta-aminoalkoxyborane complexes NISSAN CHEMICAL IND LTD (JP) 1996-02-14 CN disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 WO disclosed
US-5332801-A For blends MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-07-26 US disclosed
US-5120800-A Boriding with borane compound having at least one boron-hydrogen bond and oxidizing MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-06-09 US disclosed
EP-0451819-A2 Process for preparing modified-polyphenylene ether MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-10-16 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 (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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 CHRM5 4637/4885CHKA 2009/4885MAPT 2352/4885

“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.