SCHEMBL14754445

SCHEMBL14754445

CNC(=O)c1c(NC)ncn1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ YTHDC1 Q96MU7 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL20079665 0.75 HDAC1 (0.48) SMN1; SMN2YTHDC1
SCHEMBL10114423 0.75 RXFP1 (0.65) TP53KMT2AMEN1POLB
SCHEMBL10114442 0.74 RXFP1 (0.64) TP53KMT2AMEN1POLB
SCHEMBL20079735 0.71 POLB (0.48) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL20079742 0.69 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2RECQLKMT2A
SCHEMBL20079645 0.68 CYP11B2 (0.44) TP53KMT2AMEN1MAPTYTHDC1
SCHEMBL20079660 0.67 ALDH1A1 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL10280149 0.66 TRPA1 (0.36) YTHDC1
SCHEMBL20079775 0.66 PTGS2 (0.43) TP53KMT2AMEN1ALDH1A1MAPT
SCHEMBL21133621 0.66 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — 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-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RAB9A 2306/4885NPC1 73/4885SMN1; SMN2 129/4885

“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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