SCHEMBL3060324

SCHEMBL3060324

CC(=O)OCc1ccc(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SYK P43405 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HPGD P15428 1/20 0.37
DAO P14920 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
SCHEMBL7410889 0.84 ESR1 (0.45) ALDH1A1RAB9AHDAC6LMNASMN1; SMN2
SCHEMBL11016027 0.82 ALDH1A1 (0.52) ALDH1A1RAB9AMAPTKMT2AMEN1
SCHEMBL18611841 0.81 RAB9A (0.38) ALDH1A1RAB9AMAPTKDM4EHSD17B10
SCHEMBL29630882 0.81 ALDH1A1 (0.42) ALDH1A1RAB9AMAPTKDM4ENPC1
SCHEMBL11386635 0.81 ALDH1A1 (0.42) ALDH1A1RAB9AHDAC6LMNASMN1; SMN2
SCHEMBL1063890 0.81 ALDH1A1 (0.42) ALDH1A1RAB9AMAPTKDM4ENPC1
SCHEMBL14811677 0.79 MAPT (0.50) ALDH1A1MAPTHSD17B10HPGDCYP1A2
SCHEMBL11375563 0.79 ALDH1A1 (0.44) ALDH1A1RAB9AMAPTKDM4EHSD17B10
SCHEMBL6167341 0.79 ALDH1A1 (0.44) ALDH1A1RAB9AMAPTKDM4EKMT2A
SCHEMBL1059319 0.79 ALDH1A1 (0.44) ALDH1A1RAB9ASYKAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670230-B2 Heteroaryl compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-10-15 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
WO-2000012808-A1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2000-03-09 WO disclosed
WO-2000012667-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-03-09 WO disclosed
EP-0313630-B1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME DEUTSCHES AUSSÄTZIGEN HILFSWERK E.V. (DE) 1992-09-16 EP disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 US disclosed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 EP disclosed
EP-0001279-B1 IMIDAZOLE DERIVATIVES THEIR SYNTHESIS AND THEIR PHARMACEUTICAL FORMULATIONS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-09-30 EP disclosed
US-4248880-A IMIDAZOLE OR THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1981-02-03 US disclosed
US-4182766-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-01-08 US disclosed
EP-0001279-A1 Imidazole derivatives their synthesis and their pharmaceutical formulations F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-04-04 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 (4 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-20150291626-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN ALDH1A1 560/4885RAB9A 957/4885MAPT 778/4885
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 ALDH1A1 408/4885RAB9A 1250/4885MAPT 223/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 ALDH1A1 408/4885RAB9A 1250/4885MAPT 223/4885
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALDH1A1 1358/4885RAB9A 3493/4885MAPT 4848/4885

“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.