SCHEMBL4598779

SCHEMBL4598779

NC(=O)[C@H]1CCCC[C@H]1C(=O)NCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 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
SCHEMBL4598783 0.88 HDAC1 (0.47) KDM4EALDH1A1HPGDHSD17B10HDAC1
SCHEMBL4825551 0.80 HPGD (0.47) KDM4EALDH1A1HPGDHSD17B10F2
SCHEMBL4817684 0.79 HPGD (0.57) KDM4EHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4824944 0.77 HSD17B10 (0.42) KDM4EALDH1A1HPGDHSD17B10F2
SCHEMBL4827419 0.73 ADAM17 (0.44) —
SCHEMBL15578063 0.72 HDAC1 (0.61) ALDH1A1HDAC1HDAC2ADORA2AADORA1
SCHEMBL4611701 0.72 RAB9A (0.51) KDM4EALDH1A1HDAC1HDAC2RAB9A
Hydrochloric Acid SCHEMBL8843971 0.71 ALOX5 (0.47) HDAC1HDAC2NPC1RAB9ACYP1A2
SCHEMBL19407338 0.71 NPSR1 (0.64) KDM4EALDH1A1HPGDHDAC1HDAC2
SCHEMBL20353961 0.71 HDAC1 (0.59) ALDH1A1HDAC1HDAC2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US claimed
EP-1910286-A2 CATHEPSIN K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-16 — — EP disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US disclosed
WO-2007014839-A2 CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF KDM4E 2332/4885ALDH1A1 1616/4885HPGD 3156/4885

“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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