SCHEMBL9196847

SCHEMBL9196847

O=C(CBr)c1ccccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 4/20 0.44
CYP11B1 P15538 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALPL P05186 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL30634443 1.00 PTPN1 (0.46) PTPN1SMN1; SMN2HPGDSALDH1A1HTT
SCHEMBL11442930 0.83 IRAK4 (0.62) PTPN1SMN1; SMN2HPGDSALDH1A1HTT
SCHEMBL29932788 0.83 IRAK4 (0.62) PTPN1SMN1; SMN2HPGDSALDH1A1HTT
SCHEMBL19388312 0.83 ABCB1 (0.49) SMN1; SMN2ALDH1A1HTTCYP11B1RAB9A
SCHEMBL15414908 0.82 PTPN1 (0.43) PTPN1SMN1; SMN2HPGDSALDH1A1HTT
SCHEMBL9202482 0.82 HPGDS (0.44) PTPN1SMN1; SMN2HPGDSALDH1A1HTT
SCHEMBL14518782 0.80 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HTTCYP11B1NPC1
SCHEMBL27955496 0.80 PDE4A (0.49) SMN1; SMN2ALDH1A1HTTCYP11B1RAB9A
SCHEMBL11212937 0.80 HTT (0.49) SMN1; SMN2ALDH1A1HTTCYP11B1NPC1
SCHEMBL9203932 0.79 MEN1 (0.45) PTPN1SMN1; SMN2HPGDSALDH1A1CYP11B1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829307-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2020-07-24 CN disclosed
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080129-B1 IMIDAZOTRIAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-03 EP disclosed
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
EP-3080110-B1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-07-10 EP disclosed
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
CN-103958487-A Benzoic acid derivatives as eif4e inhibitors HOFFMANN LA ROCHE 2014-07-30 CN disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 US disclosed
EP-0539806-B1 Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity MERCK PATENT GMBH (DE) 1995-01-04 EP disclosed
US-5276027-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-04 US disclosed
EP-0539806-A1 Thiadiazinones and medicines containing them, having in particular a positive inotropic and vasodilating activity MERCK PATENT GmbH (DE) 1993-05-05 EP 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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 PTPN1 3713/4885SMN1; SMN2 3486/4885HPGDS 28/4885
US-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 PTPN1 3778/4885SMN1; SMN2 1311/4885HPGDS 2289/4885

“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.