SCHEMBL5866568

SCHEMBL5866568

COc1ccc(NC(=O)CBr)cc1C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 1/20 0.49
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL29663590 0.87 SMN1; SMN2 (0.66) ALDH1A1CYP1A2CYP2C19SMN1; SMN2EPHX2
SCHEMBL23120213 0.87 SMN1; SMN2 (0.66) ALDH1A1CYP1A2CYP2C19SMN1; SMN2EPHX2
SCHEMBL10886971 0.84 POLB (0.51) ALDH1A1POLBCYP1A2CYP2C19SMN1; SMN2
SCHEMBL24499540 0.84 SMN1; SMN2 (0.51) ALDH1A1POLBCYP1A2CYP2C19SMN1; SMN2
SCHEMBL24498947 0.83 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2KMT2APKM
SCHEMBL24499181 0.83 SMN1; SMN2 (0.53) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RAB9A
SCHEMBL8533501 0.82 POLB (0.76) ALDH1A1POLBRAB9AKMT2ANPSR1
SCHEMBL29688982 0.82 POLB (0.76) ALDH1A1POLBRAB9AKMT2ANPSR1
SCHEMBL14602134 0.81 CYP1A2 (0.51) ALDH1A1POLBCYP1A2CYP2C19SMN1; SMN2
SCHEMBL27937420 0.81 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C19SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109338-B2 For use in the prophylaxis and the treatment of Picornavirus and human rotavirus infections. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-19 US disclosed
US-20040009977-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-15 US disclosed
EP-1380575-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2004-01-14 EP disclosed
US-6541470-B1 Have a potent antiviral activity against picornaviruses and rotaviruses. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-01 US disclosed
EP-1081138-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2001-03-07 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 (1 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-20040009977-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MAVS, IRF3, EIF2AK2 ALDH1A1 1671/4885POLB 194/4885CYP1A2 1116/4885

“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.