SCHEMBL3057151

SCHEMBL3057151

C=Cc1cccc2c1sc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
ALOX5 P09917 1/20 0.41
SLC9A1 P19634 2/20 0.40
PARP14 Q460N5 1/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIMK1 P53667 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
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
SCHEMBL19968095 0.86 PARP14 (0.48) GPR3ALOX5SLC9A1PARP14MAPT
SCHEMBL9525819 0.81 CYP2A6 (0.48) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL17454809 0.81 GPR3 (0.48) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL30705823 0.81 CYP2A6 (0.48) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL25165131 0.78 GPR3 (0.45) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL3052012 0.77 GPR3 (0.48) GPR3SLC9A1MAPTRAB9AMEN1
SCHEMBL15834692 0.74 CYP2A6 (0.42) GPR3SLC9A1MAPTRAB9AMEN1
SCHEMBL15497424 0.74 GPR3 (0.68) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL1039859 0.74 GPR3 (0.68) GPR3ALOX5PARP14MAPTRAB9A
SCHEMBL355686 0.74 GPR3 (0.54) GPR3ALOX5PARP14MAPTRAB9A

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
US-20100221646-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-02 US claimed
WO-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 WO disclosed
EP-3248230-B1 USE OF ORGANIC MOLECULES IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-05-06 EP disclosed
US-20100221646-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-02 US disclosed
US-20100221646-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-02 US disclosed
US-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 US disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 WO disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 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-20060152149-A1 Porphyrin compositions ACP1, MMS19, MVD GPR3 3994/4885ALOX5 1190/4885SLC9A1 4639/4885

“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.