SCHEMBL5866580

SCHEMBL5866580

CC(C)c1ccc(Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.57
ADRB2 P07550 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
FFAR2 O15552 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
POLB P06746 2/20 0.43
KCNH3 Q9ULD8 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PGR P06401 1/20 0.42
DHODH Q02127 1/20 0.42
CNR1 P21554 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL29950147 0.90 NFKB1 (0.59) NFKB1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL3958499 0.90 NFKB1 (0.59) NFKB1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL197810 0.84 ADRB2 (0.65) ADRB2SMN1; SMN2FFAR2POLBMEN1
SCHEMBL5686059 0.83 KIF11 (0.57) NFKB1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL13769426 0.83 KIF11 (0.57) NFKB1SMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL4445207 0.82 ADRB2 (0.62) ADRB2SMN1; SMN2FFAR2POLBMEN1
Hydrochloric Acid SCHEMBL28767407 0.82 ADRB2 (0.62) ADRB2SMN1; SMN2FFAR2POLBMEN1
SCHEMBL30720007 0.82 ADRB2 (0.62) ADRB2SMN1; SMN2FFAR2POLBMEN1
SCHEMBL1686571 0.82 LMNA (0.57) SMN1; SMN2ALDH1A1POLBMEN1RAB9A
SCHEMBL9516529 0.82 LMNA (0.57) SMN1; SMN2ALDH1A1POLBMEN1RAB9A

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 6 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
EP-1081138-B1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds MARUISHI PHARMA (JP) 2004-09-22 EP 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 NFKB1 320/4885ADRB2 3071/4885SMN1; SMN2 2040/4885

“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.