SCHEMBL5570307

SCHEMBL5570307

Oc1ccnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
TDO2 P48775 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
BACE1 P56817 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
BCL2L1 Q07817 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
Methane SCHEMBL11400361 0.98 HTR2B (0.39) HTR2BHTR5ATDO2L3MBTL1PDE3B
Methane SCHEMBL28895900 0.96 KMT2A (0.38) HTR2BHTR5ATDO2L3MBTL1PDE3B
SCHEMBL11367932 0.81 HTR2B (0.41) HTR2BHTR5ATDO2L3MBTL1PDE3B
SCHEMBL16196251 0.78 USP7 (0.42) L3MBTL1KMT2AMEN1BACE1ALDH1A1
SCHEMBL31663480 0.77 CYP2A6 (0.39) L3MBTL1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL6384277 0.77 TGFBR1 (0.39) L3MBTL1CDK5CDK5R1PTGS1PTGS2
SCHEMBL10381277 0.77 HTR2B (0.41) HTR2BHTR5ATDO2L3MBTL1PDE3B
SCHEMBL996432 0.77 CCNA2 (0.45) HTR2BHTR5ATDO2L3MBTL1PDE3B
SCHEMBL11253971 0.76 MEN1 (0.39) L3MBTL1KMT2AMEN1BACE1ALDH1A1
SCHEMBL10584953 0.75 PTGS1 (0.41) HTR2BHTR5ATDO2L3MBTL1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739700-B Condensed cyclic compound and organic light-emitting device including the same 三星显示有限公司 2023-12-22 CN disclosed
CN-101331626-B Material for organic electroluminescent element and organic electroluminescent element using same IDEMITSU PETROCHEMICAL CO 2011-08-17 CN disclosed
CN-101094860-B Metal complex and organic electroluminescent element using same IDEMITSU PETROCHEMICAL CO 2011-04-20 CN disclosed
CN-101331626-A Material for organic electroluminescent element and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2008-12-24 CN disclosed
CN-101253185-A Transition metal complex and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2008-08-27 CN disclosed
CN-101094860-A Metal complex and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2007-12-26 CN disclosed
US-7244711-B2 Association of calpain inhibitors and reactive oxygen species trapping agents SOCIETE DE CONSEILS DE RECHERCHES ET D' 'APPLICATIONS SCIENTIFIQUES S.C.R.A.S (FR) 2007-07-17 US disclosed
US-20040053851-A1 Association of calpain inhibitors and reactive oxygen species trapping agents IPSEN PHARMA S.A.S. (FR) 2004-03-18 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 (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-20040053851-A1 Association of calpain inhibitors and reactive oxygen species trapping agents CAPN2, CAPN1, CAPN9 HTR2B 3114/4885HTR5A 4018/4885TDO2 4243/4885

“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.