SCHEMBL79080

SCHEMBL79080

NCc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
F10 P00742 2/20 0.53
HPGD P15428 3/20 0.50
AKR1C3 P42330 2/20 0.50
USP2 O75604 2/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
ACACB O00763 1/20 0.46
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.44

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
SCHEMBL2152758 0.96 ALDH1A1 (0.57) ALDH1A1F10HPGDAKR1C3USP2
SCHEMBL5604035 0.85 F10 (0.59) ALDH1A1F10HPGDPRSS1PRSS2
SCHEMBL85175 0.83 ALDH1A1 (0.58) ALDH1A1HPGDAKR1C3USP2MAPT
SCHEMBL8154285 0.82 ALDH1A1 (0.53) ALDH1A1HPGDAKR1C3USP2LMNA
SCHEMBL21770514 0.82 ALDH1A1 (0.53) ALDH1A1HPGDAKR1C3USP2LMNA
SCHEMBL1696787 0.82 USP2 (0.55) ALDH1A1HPGDAKR1C3USP2LMNA
SCHEMBL8149641 0.82 ALDH1A1 (0.57) ALDH1A1HPGDAKR1C3USP2LMNA
SCHEMBL85591 0.81 ALDH1A1 (0.57) ALDH1A1HPGDAKR1C3USP2MAPT
SCHEMBL11142367 0.80 ALDH1A1 (0.74) ALDH1A1HPGDAKR1C3TSHR
SCHEMBL12813163 0.80 ALDH1A1 (0.57) ALDH1A1F10HPGDUSP2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
CN-103443189-B Rubber composition and pneumatic tire 住友橡胶工业株式会社 2016-09-07 CN disclosed
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
EP-2050446-B1 SULFONAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-05-07 EP disclosed
CN-103476852-A Rubber composition and pneumatic tire SUMITOMO RUBBER IND 2013-12-25 CN disclosed
CN-103443189-A Rubber composition and pneumatic tire SUMITOMO RUBBER IND 2013-12-11 CN disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 WO disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 ALDH1A1 739/4885F10 5/4885HPGD 672/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 ALDH1A1 489/4885F10 6/4885HPGD 616/4885

“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.