SCHEMBL3886554

SCHEMBL3886554

O=C(CCl)c1cccc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
ALDH1A1 P00352 6/20 0.53
LMNA P02545 2/20 0.50
ALOX12 P18054 2/20 0.50
NPC1 O15118 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
KDR P35968 2/20 0.48
TSHR P16473 3/20 0.47
MMP2 P08253 2/20 0.47
CHRM1 P11229 1/20 0.47
COMT P21964 1/20 0.47
ADRA1A P35348 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47

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
SCHEMBL16581134 0.83 PARP1 (0.62) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL15228399 0.83 PARP1 (0.62) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL12883029 0.83 PARP1 (0.62) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL27593827 0.80 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL1164312 0.80 PARP1 (0.68) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL9701377 0.80 PARP1 (0.58) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL28050846 0.80 PARP1 (0.72) PARP1ALDH1A1LMNAALOX12NPC1
Hydrochloric Acid SCHEMBL5126803 0.79 PARP1 (0.66) PARP1ALDH1A1LMNAALOX12NPC1
Hydrochloric Acid SCHEMBL30615213 0.79 PARP1 (0.66) PARP1ALDH1A1LMNAALOX12NPC1
SCHEMBL111826 0.78 PARP1 (0.70) PARP1ALDH1A1LMNAALOX12NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103342698-B Application of dual-fluorophore ratio fluorescence molecular probe for non-fluorescence resonance energy transfer UNIV QIQIHAR 2015-06-17 CN disclosed
CN-103342698-A Dual-fluorophore ratio fluorescence molecular probe for non-fluorescence resonance energy transfer and preparation method thereof UNIV QIQIHAR 2013-10-09 CN disclosed
CN-101440062-B Synthesis of N-acyl-8-amino quinoline derivatives and use thereof as fluorescent molecular probe UNIV QIQIHAR 2011-09-28 CN disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
CN-101440062-A Synthesis of N-acyl-8-amino quinoline derivatives and use thereof as fluorescent molecular probe UNIV QIQIHAR (CN) 2009-05-27 CN disclosed
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
EP-0397365-B1 Arylthiazolylimidazoles as 5HT3 Antagonists PFIZER (US) 1994-03-02 EP disclosed
EP-0397365-A1 Arylthiazolylimidazoles as 5HT3 Antagonists PFIZER INC. (US) 1990-11-14 EP disclosed
US-4914207-A ANTIEMETICS PFIZER INC. (US) 1990-04-03 US 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-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 PARP1 290/4885ALDH1A1 2539/4885LMNA 2775/4885

“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.