SCHEMBL5866566

SCHEMBL5866566

COc1cc(Br)c(NC(C)=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 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
SCHEMBL17789260 0.93 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ACA1
SCHEMBL11638321 0.86 MEN1 (0.54) ALDH1A1TSHRMEN1KMT2ACA1
SCHEMBL5734883 0.85 GAA (0.47) ALDH1A1TSHRMEN1KMT2ACA1
SCHEMBL26654625 0.83 MEN1 (0.50) ALDH1A1TSHRMEN1KMT2ACA1
SCHEMBL30665901 0.83 MEN1 (0.50) ALDH1A1TSHRMEN1KMT2ACA1
SCHEMBL4978388 0.82 CA1 (0.50) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL25527637 0.82 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2ACA1
SCHEMBL3164622 0.82 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL6118287 0.81 CYP1A2 (0.49) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL14496909 0.81 MEN1 (0.59) ALDH1A1TSHRMEN1KMT2AMAPT

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 1671/4885TSHR 4749/4885MEN1 3221/4885

“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.