SCHEMBL2256178

SCHEMBL2256178

O=C1C[N]CCN1c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.42
▸ ALOX5 P09917 2/20 0.41
▸ ALB P02768 4/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRA1B P35368 2/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL2250478 0.78 P2RX7 (0.51) P2RX7
SCHEMBL1161143 0.75 MEN1 (0.50) ALOX5ALDH1A1POLBMAPTTSHR
SCHEMBL5436101 0.74 ALOX5 (0.54) P2RX7ALOX5ALBMGLLHSD11B1
SCHEMBL219341 0.72 ADRB1 (0.59) ADRB1ADRA1BHTR1AALDH1A1MAPT
SCHEMBL20103130 0.71 ADRA1A (0.48) P2RX7ALOX5ALBMGLLHSD11B1
SCHEMBL16799216 0.71 ALOX5 (0.46) P2RX7ALOX5ALBMGLLHSD11B1
SCHEMBL1814949 0.70 ADRB1 (0.56) P2RX7ALOX5MGLLHSD11B1ADRB1
SCHEMBL1161089 0.70 CRBN (0.50) ALOX5ALDH1A1POLBMAPTTSHR
Hydrochloric Acid SCHEMBL1663296 0.69 ADRB1 (0.54) P2RX7ALOX5MGLLHSD11B1ADRB1
SCHEMBL13664702 0.68 SLC6A2 (0.58) P2RX7ALOX5ALBMGLLADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354413-B2 Quinolin-4-one and 4-oxodihydrocinnoline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) Istituto di Ricerche di Biologia Molecolare P. Angeletti, S.R.L. (IT) 2013-01-15 — — US disclosed
US-20110207720-A1 QUINOLIN-4-ONE AND 4-OXODIHYRDOCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-08-25 — — US disclosed
EP-2193121-A1 QUINOLIN-4-ONE AND 4-OXODIHYDROCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-06-09 — — EP disclosed
WO-2009027730-A1 QUINOLIN-4-ONE AND 4-OXODIHYDROCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-05 — — 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 (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-20110207720-A1 QUINOLIN-4-ONE AND 4-OXODIHYRDOCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 P2RX7 902/4885ALOX5 2733/4885ALB 4407/4885

“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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