SCHEMBL5476167

SCHEMBL5476167

c1ccc2c(c1)sc1sccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.56
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ALOX15 P16050 1/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
PARP15 Q460N3 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL29385344 1.00 GPR3 (0.56) GPR3ALDH1A1RAB9AMAPTHPGD
SCHEMBL29563010 0.84 KDM4E (0.47) GPR3ALDH1A1RAB9AMAPTHPGD
SCHEMBL22831739 0.84 KDM4E (0.47) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL28003276 0.76 GPR3 (0.70) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL27960487 0.74 GPR3 (0.67) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL30167635 0.74 GPR3 (1.00) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL14659543 0.74 GPR3 (1.00) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL13294 0.74 GPR3 (1.00) GPR3ALDH1A1RAB9AMAPTHPGD
Dibenzothiophene SCHEMBL2561055 0.73 GPR3 (0.64) GPR3ALDH1A1RAB9AMAPTHPGD
SCHEMBL13250618 0.72 HSD17B10 (0.39) GPR3ALDH1A1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002419-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING SAME SFC CO., LTD. (KR) 2023-01-05 US disclosed
EP-4001284-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC Co., Ltd. (KR) 2022-05-25 EP disclosed
US-20100176377-A1 Polymeric compound and polymeric electroluminescence element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-15 US disclosed
US-20100176377-A1 Polymeric compound and polymeric electroluminescence element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-15 US disclosed
US-20070185163-A1 Imidazol derivatives of piperidine as histamine antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1651634-A1 IMIDAZOL DERIVATIVES OF PIPERIDINE AS HISTAMINE ANTAGONISTS AstraZeneca AB (SE) 2006-05-03 EP disclosed
WO-2005014579-A1 IMIDAZOL DERIVATIVES OF PIPERDINE AS HISTAMINE ANTAGONISTS ASTRAZENECA AB (SE) 2005-02-17 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 (2 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-20230002419-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING SAME CLTB, CD79B, RB1 GPR3 3844/4885ALDH1A1 159/4885RAB9A 476/4885
US-20070185163-A1 Imidazol derivatives of piperidine as histamine antagonists HRH2, HRH1, HRH4 GPR3 439/4885ALDH1A1 1130/4885RAB9A 706/4885

“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.