SCHEMBL5530550

SCHEMBL5530550

COC(=O)c1ccc(OC(C)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.58
▸ NPC1 O15118 6/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ PKM P14618 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ KLF5 Q13887 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ ALOX12 P18054 1/20 0.45
▸ THRB P10828 1/20 0.45

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
SCHEMBL5532731 0.88 NPC1 (0.54) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL5515761 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL8556483 0.80 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL5517429 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL9427792 0.77 MLKL (0.53) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL7596328 0.74 KMT2A (0.47) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL9427505 0.74 ALOX5 (0.46) RAB9ANPC1SMN1; SMN2LMNAKLF5
SCHEMBL2617471 0.74 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL2275614 0.74 MLKL (0.59) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL2275617 0.74 MLKL (0.59) RAB9ANPC1SMN1; SMN2LMNAPKM

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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 — — 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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A RAB9A 334/4885NPC1 1991/4885SMN1; SMN2 1443/4885

“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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