SCHEMBL2180130

SCHEMBL2180130

CC(=O)OCc1nc(Cl)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ RXFP1 Q9HBX9 6/20 0.47
▸ PRNP P04156 6/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 5/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 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
SCHEMBL2182238 0.80 ALDH1A1 (0.48) ALDH1A1RXFP1PRNPCYP1A2CYP2C19
SCHEMBL31663103 0.76 KMT2A (0.45) ALDH1A1RXFP1PRNPCYP1A2CYP2C19
SCHEMBL2181702 0.76 CYP1A2 (0.44) ALDH1A1RXFP1PRNPCYP1A2CYP2C19
SCHEMBL2205550 0.75 RXFP1 (0.56) ALDH1A1RXFP1PRNPCYP1A2CYP2C19
SCHEMBL14434337 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19KDM4EHTT
SCHEMBL859288 0.74 ALDH1A1 (0.54) ALDH1A1RXFP1PRNPNPSR1TSHR
SCHEMBL16404343 0.73 MAOA (0.50) ALDH1A1PRNPCYP1A2CYP2C19NPSR1
SCHEMBL92745 0.72 KMT2A (0.50) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL9173175 0.71 ALDH1A1 (0.55) ALDH1A1RXFP1PRNPCYP1A2CYP2C19
SCHEMBL2261435 0.71 MAOA (0.52) ALDH1A1CYP1A2CYP2C19TSHRKDM4E

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
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 — — EP disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 — — EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 — — EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 — — US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 — — WO disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 — — 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B ALDH1A1 1520/4885RXFP1 185/4885PRNP 3157/4885

“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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