SCHEMBL19974903

SCHEMBL19974903

COc1cccc(Cl)c1C(=O)NC(C)C(=O)C(=O)NCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
TP53 P04637 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.39
MAPT P10636 1/20 0.39
CHRM2 P08172 1/20 0.39
POLB P06746 2/20 0.38
HTR4 Q13639 1/20 0.38
CNR2 P34972 2/20 0.38
P2RX7 Q99572 1/20 0.37
CHRM1 P11229 1/20 0.37
FBP1 P09467 1/20 0.37
CNR1 P21554 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL19974847 0.90 P2RX7 (0.44) ITGB1HPGDPOLBCNR2P2RX7
SCHEMBL19975132 0.82 HPGD (0.50) TP53HPGDMAPTP2RX7
SCHEMBL19975297 0.82 CHRM2 (0.40) ITGB1ITGA4TP53ALPLALPI
SCHEMBL19974873 0.80 SMN1; SMN2 (0.48) HPGDCNR2P2RX7CHRM1CNR1
SCHEMBL19975568 0.76 KCNH2 (0.51) HPGDPOLBFBP1
SCHEMBL21183565 0.75 RAB9A (0.47) POLBP2RX7
SCHEMBL21176278 0.74 PREP (0.47) HPGDROCK2
SCHEMBL19974901 0.74 HPGD (0.38) TP53ALPLALPIALPGHPGD
SCHEMBL19974751 0.74 ITGAV (0.47) HPGDMAPT
SCHEMBL19975513 0.72 CTSL (0.50) HPGD

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-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C ITGB1 4382/4885ITGA4 3514/4885TP53 3256/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ITGB1 4476/4885ITGA4 3621/4885TP53 3198/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ITGB1 4382/4885ITGA4 3514/4885TP53 3256/4885

“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.