SCHEMBL1691917

SCHEMBL1691917

O=C(OCc1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.40
▸ KCNK3 O14649 12/20 0.39
▸ KCNK9 Q9NPC2 12/20 0.39
▸ AHR P35869 1/20 0.38
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18953130 0.89 SLC2A1 (0.42) —
SCHEMBL18953105 0.85 GABRA2 (0.39) —
SCHEMBL1691730 0.84 GABRA2 (0.48) —
Trifluoroacetic Acid SCHEMBL1691916 0.83 CASP3 (0.43) HDAC1KCNK3KCNK9AHRCASP3
SCHEMBL1691778 0.81 NPC1 (0.43) KCNK3KCNK9
SCHEMBL1691246 0.78 AHR (0.44) KCNK3KCNK9AHR
SCHEMBL18953133 0.71 SLC2A1 (0.35) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL7554596 0.71 GABRB2 (0.48) HDAC1KCNK3KCNK9
SCHEMBL1691336 0.69 KDM4E (0.48) KCNK3KCNK9
SCHEMBL15333053 0.69 ALDH1A1 (0.48) AHR

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 HDAC1 981/4885KCNK3 676/4885KCNK9 764/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 HDAC1 1518/4885KCNK3 3017/4885KCNK9 3413/4885
US-20150239905-A1 IMIDAZOPYRIDINE COMPOUNDS SSB, MIF, IDO1 HDAC1 981/4885KCNK3 676/4885KCNK9 764/4885
US-20140206662-A1 Imidazopyridine Compounds SSB, NFKBIA, TPMT HDAC1 622/4885KCNK3 1244/4885KCNK9 941/4885

“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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