SCHEMBL3044989

SCHEMBL3044989

CCOC(=O)c1csc(Nc2cccc(O)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
CFTR P13569 1/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 3/20 0.54
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.53
KDM1A O60341 1/20 0.52
ALOX5 P09917 1/20 0.51

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
SCHEMBL2831045 0.90 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2CFTRNPC1RAB9A
SCHEMBL4789312 0.86 SMN1; SMN2 (0.69) L3MBTL1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL21708008 0.85 KDM1A (0.67) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL10465369 0.84 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2CFTRNPC1RAB9A
SCHEMBL3045328 0.83 CA12 (0.55) L3MBTL1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL5218406 0.83 SMN1; SMN2 (0.60) L3MBTL1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL21708021 0.81 MAPT (0.68) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL5035870 0.81 LMNA (0.71) L3MBTL1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL525373 0.81 MAOA (0.64) L3MBTL1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL3038926 0.81 LMNA (0.64) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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 (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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 L3MBTL1 364/4885SMN1; SMN2 3800/4885CFTR 2203/4885

“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.