SCHEMBL415236

SCHEMBL415236

COc1ccc(-c2ccn(CCCC(=O)O)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.65
GABRB2 P47870 8/20 0.65
GABRP O00591 3/20 0.65
GABRD O14764 3/20 0.65
GABRB1 P18505 3/20 0.65
GABRG2 P18507 3/20 0.65
GABRB3 P28472 3/20 0.65
GABRA5 P31644 3/20 0.65
GABRA3 P34903 3/20 0.65
GABRA2 P47869 3/20 0.65
GABRA4 P48169 3/20 0.65
GABRE P78334 3/20 0.65
GABRA6 Q16445 3/20 0.65
GABRG1 Q8N1C3 3/20 0.65
GABRG3 Q99928 3/20 0.65
GABRQ Q9UN88 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
ALOX15 P16050 1/20 0.65

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
SCHEMBL413536 0.85 GABRP (0.48) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL10247832 0.83 GABRA1 (0.59) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL415468 0.82 GABRA1 (0.47) GABRA1GABRB2GABRPGABRDGABRB1
Gabazine SCHEMBL5529434 0.79 GABRA1 (1.00) GABRA1GABRB2GABRPGABRDGABRB1
Gabazine SCHEMBL5473649 0.78 GABRA1 (0.98) GABRA1GABRB2GABRPGABRDGABRB1
Gabazine SCHEMBL16320027 0.77 GABRA1 (0.95) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL24707043 0.77 FFAR1 (0.47) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL29193525 0.75 SRC (0.52) GAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL2834175 0.75 CYP19A1 (0.47) HSD17B10HDAC1HDAC2HDAC8HDAC6
SCHEMBL414508 0.75 GABRP (0.40) GABRA1GABRB2GABRPGABRDGABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 GABRA1 3384/4885GABRB2 3283/4885GABRP 3362/4885

“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.