SCHEMBL6437533

SCHEMBL6437533

COc1cc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)ccc1-c1cc2cc(Cl)c(Cl)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
PHGDH O43175 1/20 0.39
USP30 Q70CQ3 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ACHE P22303 1/20 0.37
CHRM4 P08173 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F10 P00742 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL5651921 0.84 CHRM4 (0.42) EZH2MEN1KMT2APKMHDAC4
SCHEMBL6438399 0.83 AVPR1A (0.36) PHGDH
SCHEMBL6439903 0.81 MEN1 (0.41) EZH2MEN1KMT2APKMHDAC4
SCHEMBL6440335 0.81 USP30 (0.36) TACR2TACR1PHGDHUSP30LRRK2
SCHEMBL5651068 0.78 PRSS12 (0.47) EZH2MEN1KMT2APKMHDAC4
SCHEMBL12825891 0.76 PKM (0.50) EZH2MEN1KMT2APKMHDAC4
SCHEMBL6582454 0.72 EZH2 (0.39) EZH2MEN1KMT2AHDAC4HDAC6
SCHEMBL6582988 0.70 MEN1 (0.54) EZH2MEN1KMT2APKM
SCHEMBL6581522 0.69 HTR4 (0.39) MEN1KMT2A
SCHEMBL5651002 0.68 PRSS12 (0.47) MEN1KMT2AHDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042316-B1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS NIKEM RESEARCH SRL (IT) 2005-02-09 EP claimed
US-6506758-B2 4-(5,6-dichloro-1H-indol-2-yl)-N-(1,2,2,6,6-pentamethyl -piperidin-4-yl)benzamide, for example; selective for mammalian osteoclasts, acting to selectively inhibit their bone resorbing activity SMITHKLINE BEECHAM LABORATOIRES PHARMCEUTIQUES (FR) 2003-01-14 US claimed
US-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES 2002-07-25 US claimed
EP-1042316-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 2000-10-11 EP claimed
WO-1999033822-A1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1999-07-08 WO claimed
US-6506758-B2 4-(5,6-dichloro-1H-indol-2-yl)-N-(1,2,2,6,6-pentamethyl -piperidin-4-yl)benzamide, for example; selective for mammalian osteoclasts, acting to selectively inhibit their bone resorbing activity SMITHKLINE BEECHAM LABORATOIRES PHARMCEUTIQUES (FR) 2003-01-14 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-20020099080-A1 Indole derivatives useful A.O. for the treatment of osteoporosis SOST, NR3C2, EBP EZH2 1187/4885MEN1 2171/4885KMT2A 1098/4885

“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.