SCHEMBL1931403

SCHEMBL1931403

CCOC(=O)c1coc(-c2ccc(Cl)c(C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACR P10323 1/20 0.45
▸ GABRA2 P47869 6/20 0.45
▸ GABRB2 P47870 6/20 0.45
▸ TARBP2 Q15633 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL19556552 0.90 GABRA2 (0.43) ACRGABRA2GABRB2TARBP2CYP1A2
SCHEMBL30111991 0.90 GABRA2 (0.43) ACRGABRA2GABRB2TARBP2CYP1A2
SCHEMBL27820675 0.86 GABRA2 (0.42) ACRGABRA2GABRB2TARBP2CYP1A2
SCHEMBL20361433 0.84 TARBP2 (0.60) GABRA2GABRB2TARBP2CYP1A2PDE4B
SCHEMBL26315180 0.81 HDAC1 (0.61) GABRA2GABRB2TARBP2CYP1A2PDE4B
SCHEMBL3070077 0.80 PDE4B (0.53) TARBP2CYP1A2PDE4BHDAC1HDAC8
SCHEMBL4280780 0.80 S1PR1 (0.50) SMN1; SMN2NPC1MAPTRAB9AHSD17B10
SCHEMBL31604713 0.80 HDAC1 (0.46) GABRA2GABRB2TARBP2CYP1A2PDE4B
SCHEMBL3178904 0.80 HDAC1 (0.46) GABRA2GABRB2TARBP2CYP1A2PDE4B
SCHEMBL24339961 0.79 ELANE (0.53) GABRA2GABRB2TARBP2CYP1A2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 — — US disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 — — EP disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 — — EP disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
EP-2185550-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Schering Pharma AG (DE) 2010-05-19 — — EP disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 — — WO disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 — — 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-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ACR 2485/4885GABRA2 1247/4885GABRB2 1108/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ACR 2764/4885GABRA2 1276/4885GABRB2 1225/4885

“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.

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