SCHEMBL16853368

SCHEMBL16853368

NCc1ccc(C(=O)c2ccc(CN)nc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NNMT P40261 3/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31906275 0.86 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27536580 0.86 KCNJ1 (0.44) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL5234177 0.86 NNMT (0.57) NNMTGABRA5SMN1; SMN2
SCHEMBL6456069 0.86 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL1244450 0.84 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28351124 0.82 P4HTM (0.44) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL21316613 0.81 MAPT (0.42) NPC1NNMTGABRPGABRDGABRA1
SCHEMBL880698 0.80 MAPK1 (0.59) NPC1NNMT
SCHEMBL21987128 0.80 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27981651 0.79 HCAR3 (0.42) RXFP1NPC1SMN1; SMN2P4HA1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 — — US disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 — — WO 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 RXFP1 2773/4885NPC1 636/4885NNMT 906/4885

“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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