SCHEMBL20200053

SCHEMBL20200053

CCc1ccn([C@H]2C[C@@H](NC(=O)c3cc(-c4ccccc4)on3)C2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.56
▸ NPC1 O15118 8/20 0.56
▸ S1PR1 P21453 2/20 0.55
▸ FAAH O00519 2/20 0.51
▸ USP30 Q70CQ3 1/20 0.50
▸ HIF1A Q16665 2/20 0.47
▸ MLLT1 Q03111 4/20 0.47
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MLLT3 P42568 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPK1 P28482 1/20 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
SCHEMBL17374476 0.92 RAB9A (0.58) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL17374175 0.92 RAB9A (0.58) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL17374178 0.92 RAB9A (0.58) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL17374348 0.87 NPC1 (0.53) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL17374350 0.87 NPC1 (0.53) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL20200054 0.86 RAB9A (0.54) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL20200063 0.86 RAB9A (0.54) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL19239565 0.84 RAB9A (0.54) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL17374546 0.83 NPC1 (0.55) RAB9ANPC1S1PR1FAAHUSP30
SCHEMBL17381918 0.83 NPC1 (0.55) RAB9ANPC1S1PR1FAAHUSP30

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-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-31 — — 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-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCC2, ABCB4 RAB9A 679/4885NPC1 165/4885S1PR1 4511/4885

“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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