SCHEMBL12962930

SCHEMBL12962930

Cc1cc2c(c(O)c(C(=O)NCC(C)(C)O)n2C)c(=O)n1CC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ MMP1 P03956 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ SMO Q99835 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ F2R P25116 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL1060052 0.88 SMO (0.44) LMNASMOMEN1ALDH1A1KMT2A
SCHEMBL1062588 0.87 SMO (0.47) LMNASMONPC1RAB9AMEN1
SCHEMBL27854593 0.84 LMNA (0.51) LMNANPC1RAB9AF2RMEN1
SCHEMBL12826288 0.80 SMO (0.51) SMONPC1RAB9AALDH1A1ACSS2
SCHEMBL1062667 0.80 KMT2A (0.51) LMNANPC1RAB9AMEN1ALDH1A1
SCHEMBL13708880 0.79 LMNA (0.53) LMNANPC1RAB9AF2RMEN1
SCHEMBL10314563 0.76 LMNA (0.49) LMNANPC1RAB9AF2RMEN1
SCHEMBL1058238 0.74 LMNA (0.49) LMNANPC1RAB9AMEN1ALDH1A1
SCHEMBL1061747 0.73 SMN1; SMN2 (0.44) LMNASMOMEN1ALDH1A1KMT2A
SCHEMBL10314620 0.72 MEN1 (0.39) NPC1RAB9AMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 LMNA 4534/4885MMP1 4030/4885MMP7 1950/4885

“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.

Send feedback