SCHEMBL4846205

SCHEMBL4846205

CC1(C)NC(=S)c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 7/20 0.37
ALOX12 P18054 2/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
LMNA P02545 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGR P06401 2/20 0.31
HPGD P15428 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL1711500 0.77 ALDH1A1 (0.56) KMT2AALDH1A1MAPTGLAKDM4E
SCHEMBL31395276 0.73 KDM4E (0.38) KMT2AALDH1A1ALOX12MAPTGLA
SCHEMBL21795060 0.71 ALOX5 (0.44) KMT2AALDH1A1MAPTKDM4ECYP3A4
SCHEMBL21663068 0.65 KMT2A (0.43) KMT2AALDH1A1ALOX12KDM4ERXFP1
SCHEMBL7780894 0.65 KCNH2 (0.31) ALDH1A1MAPTGLAHPGDOPRD1
SCHEMBL30383033 0.63 OXTR (0.42) KMT2AALDH1A1MAPTLMNACYP3A4
SCHEMBL962940 0.63 OXTR (0.42) KMT2AALDH1A1MAPTLMNACYP3A4
SCHEMBL9618264 0.63 ALDH1A1 (0.58) KMT2AALDH1A1GLAKDM4ECYP3A4
SCHEMBL13009960 0.63 IDO1 (0.34) ALDH1A1MAPTGLAKDM4EPLA2G1B
SCHEMBL11105120 0.62 THRB (0.47) ALDH1A1MAPTGLACTDSP1CYP3A4

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 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-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, TRPV1 KMT2A 921/4885ALDH1A1 2167/4885ALOX12 1912/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 KMT2A 4642/4885ALDH1A1 2636/4885ALOX12 1398/4885

“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.