SCHEMBL644794

SCHEMBL644794

Cc1c(C(=O)O)ccc2cccnc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
LMNA P02545 4/20 0.54
ALOX12 P18054 1/20 0.54
EGLN1 Q9GZT9 6/20 0.50
KDM4E B2RXH2 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 3/20 0.50
TET2 Q6N021 2/20 0.50
TET1 Q8NFU7 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL13943232 0.86 ALDH1A1 (0.54) ALDH1A1LMNAEGLN1KDM4EL3MBTL1
SCHEMBL15445449 0.82 ALDH1A1 (0.50) ALDH1A1LMNAEGLN1KDM4EL3MBTL1
SCHEMBL3502575 0.82 KDM4E (0.56) ALDH1A1LMNAEGLN1KDM4EHTT
SCHEMBL14136247 0.81 ALDH1A1 (0.49) ALDH1A1LMNAEGLN1KDM4EL3MBTL1
SCHEMBL9983599 0.81 ALDH1A1 (0.49) ALDH1A1LMNAEGLN1KDM4EL3MBTL1
SCHEMBL29906219 0.81 ALDH1A1 (0.70) ALDH1A1LMNAALOX12EGLN1KDM4E
SCHEMBL16383149 0.81 ALDH1A1 (0.70) ALDH1A1LMNAALOX12EGLN1KDM4E
SCHEMBL69869 0.81 ALDH1A1 (0.70) ALDH1A1LMNAALOX12EGLN1KDM4E
SCHEMBL1759043 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALOX12EGLN1KDM4E
SCHEMBL28178584 0.81 ALDH1A1 (0.52) ALDH1A1LMNAALOX12EGLN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021143822-A1 BICYCLIC IMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2021-07-22 WO disclosed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP disclosed
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed
WO-2008088937-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 WO disclosed
WO-2008088937-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 WO disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 US disclosed
EP-1791833-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS Allergan, Inc. (US) 2007-06-06 EP disclosed
WO-2006036497-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2006-04-06 WO disclosed
US-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. 2006-03-30 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 (3 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-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ADRB2, ADRA2C, ADRA2A ALDH1A1 277/4885LMNA 2429/4885ALOX12 1793/4885
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C ALDH1A1 3958/4885LMNA 2413/4885ALOX12 1501/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 ALDH1A1 323/4885LMNA 486/4885ALOX12 655/4885

“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.