SCHEMBL1691730

SCHEMBL1691730

O=C(OCc1c(-c2ccc(Br)cc2)nc2ccc(Cl)cn12)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ TSPO P30536 3/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ SLC2A1 P11166 2/20 0.45
▸ SLC2A2 P11168 1/20 0.45

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
SCHEMBL1691778 0.91 NPC1 (0.43) GABRA2GABRB2ALBOPRK1KCNH2
SCHEMBL18953130 0.85 SLC2A1 (0.42) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL18953105 0.84 GABRA2 (0.39) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL1691917 0.84 HDAC1 (0.40) —
Trifluoroacetic Acid SCHEMBL1691729 0.83 GABRA2 (0.50) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL1692145 0.78 ALDH1A1 (0.58) GABRA2GABRB2TSPONR1I2ABCB11
Trifluoroacetic Acid SCHEMBL1691777 0.73 SLC2A1 (0.44) GABRA2GABRB2ALBOPRK1KCNH2
SCHEMBL3036910 0.72 TSPO (0.59) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL18953132 0.71 SLC2A1 (0.44) ALDH1A1SLC2A1SLC2A2
SCHEMBL8150 0.70 GABRA2 (0.70) GABRA2GABRB2TSPONR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 — — US claimed
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS BIOVITRUM AB (PUBL) (SE) 2015-08-27 — — US disclosed
US-20140206662-A1 Imidazopyridine Compounds PROXIMAGEN LTD. (GB) 2014-07-24 — — US disclosed
EP-2376490-B1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD (GB) 2013-01-23 — — EP disclosed
US-20120010188-A1 Imidazopyridine Compounds PROMIMAGEN LTD. (GB) 2012-01-12 — — US disclosed
EP-2376490-A1 IMIDAZOPYRIDINE COMPOUNDS Proximagen Limited (GB) 2011-10-19 — — EP disclosed
WO-2010064020-A1 IMIDAZOPYRIDINE COMPOUNDS PROXIMAGEN LTD. (GB) 2010-06-10 — — 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 (4 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-20120010188-A1 Imidazopyridine Compounds SSB, MIF, IDO1 GABRA2 1737/4885GABRB2 2456/4885TSPO 56/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 GABRA2 1119/4885GABRB2 504/4885TSPO 471/4885
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS SSB, MIF, IDO1 GABRA2 1737/4885GABRB2 2456/4885TSPO 56/4885
US-20140206662-A1 Imidazopyridine Compounds SSB, NFKBIA, TPMT GABRA2 1302/4885GABRB2 1903/4885TSPO 68/4885

“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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