SCHEMBL1752327

SCHEMBL1752327

O=c1ccc2c(F)c3c(F)cc(O)cc3oc-2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 4/20 0.49
▸ GABRD O14764 4/20 0.49
▸ GABRA1 P14867 4/20 0.49
▸ GABRB1 P18505 4/20 0.49
▸ GABRG2 P18507 4/20 0.49
▸ GABRB3 P28472 4/20 0.49
▸ GABRA5 P31644 4/20 0.49
▸ GABRA3 P34903 4/20 0.49
▸ GABRA2 P47869 4/20 0.49
▸ GABRB2 P47870 4/20 0.49
▸ GABRA4 P48169 4/20 0.49
▸ GABRE P78334 4/20 0.49
▸ GABRA6 Q16445 4/20 0.49
▸ GABRG1 Q8N1C3 4/20 0.49
▸ GABRG3 Q99928 4/20 0.49
▸ GABRQ Q9UN88 4/20 0.49
▸ QPCT Q16769 1/20 0.49
▸ BACE1 P56817 4/20 0.48
▸ PTPN1 P18031 2/20 0.48
▸ TYR P14679 2/20 0.48

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
SCHEMBL12714390 0.70 APP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28422580 0.68 ABCB1 (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1985238 0.67 MGAM (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9883329 0.66 USP2 (0.77) QPCTMEN1KMT2AUSP2POLB
SCHEMBL20957619 0.66 HSD17B3 (0.58) CYP3A4MAPTALDH1A1HPGDESR2
SCHEMBL8477643 0.66 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2775968 0.66 USP2 (0.63) MEN1KMT2AUSP2POLBATM
SCHEMBL26772564 0.65 CLK2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21648249 0.65 MAP1LC3B (0.74) GABRPGABRDGABRA1GABRB1GABRG2
Norartocarpetin SCHEMBL29435851 0.65 BACE1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445702-B2 Zinc binding compounds and their method of use Life Technologies Corporation (US) 2013-05-21 — — US disclosed
US-20110159517-A1 Zinc binding compounds and their method of use Life Technologies Corporation (US) 2011-06-30 — — US disclosed
US-20090181364-A1 ZINC BINDING COMPOUNDS AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-07-16 — — US disclosed
US-20050250214-A1 Zinc binding compounds and their method of use MOLECULAR PROBES, INC. 2005-11-10 — — 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 (2 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-20110159517-A1 Zinc binding compounds and their method of use SLC30A6, SLC30A7, SLC39A11 GABRP 536/4885GABRD 1178/4885GABRA1 540/4885
US-20050250214-A1 Zinc binding compounds and their method of use SLC30A6, SLC30A7, SLC39A11 GABRP 532/4885GABRD 1221/4885GABRA1 538/4885

“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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