SCHEMBL6637337

SCHEMBL6637337

CCc1ccnc(CCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 2/20 0.41
CYP1A2 P05177 2/20 0.41
RECQL P46063 1/20 0.38
TRPA1 O75762 1/20 0.38
SMYD3 Q9H7B4 1/20 0.36
RIOK2 Q9BVS4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35
SREBF2 Q12772 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4B Q07343 1/20 0.33
CYP2A6 P11509 1/20 0.32

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
SCHEMBL5115940 0.83 NOS3 (0.55) NOS3NOS1NOS2KDM4ETSHR
SCHEMBL13337725 0.83 NOS3 (0.55) NOS3NOS1NOS2KDM4ETSHR
SCHEMBL10066451 0.83 NOS3 (0.55) NOS3NOS1NOS2KDM4ETSHR
Hydrochloric Acid SCHEMBL11420925 0.82 NOS3 (0.53) NOS3NOS1NOS2KDM4ETSHR
SCHEMBL218290 0.81 NOS3 (0.61) NOS3NOS1NOS2KDM4ETSHR
SCHEMBL8571138 0.80 HRH3 (0.40) KDM4ETSHRLMNACYP3A4POLB
SCHEMBL5340892 0.80 NOS3 (0.57) NOS3NOS1NOS2KDM4ETSHR
SCHEMBL2552826 0.80 NOS2 (0.52) NOS3NOS1NOS2KDM4ETSHR
SCHEMBL11563922 0.79 NOS3 (0.59) NOS3NOS1NOS2KDM4ETSHR
SCHEMBL2550616 0.78 NOS3 (0.50) NOS3NOS1NOS2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 WO disclosed
CN-1535958-A Alpha-substituted pyrimidine. thioalkyl and alkyl ether compound �������Ŷ���Լ��������˾ 2004-10-13 CN disclosed
EP-0824524-B1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE UPJOHN CO (US) 2004-09-08 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed
CN-1183773-A Alpha-substituted pyrimidine-thioalkyl and alkylether compounds UPJOHN CO (US) 1998-06-03 CN disclosed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO 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-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB NOS3 2375/4885NOS1 1894/4885NOS2 2146/4885

“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.