SCHEMBL837694

SCHEMBL837694

O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.68
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
MAPT P10636 7/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
POLB P06746 2/20 0.68
DNMT1 P26358 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MGAM O43451 8/20 0.66
SI P14410 8/20 0.66
MGAM2 Q2M2H8 8/20 0.66
NPSR1 Q6W5P4 1/20 0.63
MAPK1 P28482 4/20 0.57
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL17264096 0.81 GAA (0.67) GAAMEN1KMT2AMAPTLMNA
SCHEMBL7930002 0.75 GAA (0.60) GAAMEN1KMT2AMAPTLMNA
SCHEMBL4408570 0.74 GAA (0.61) GAAMEN1KMT2AMAPTLMNA
SCHEMBL4487938 0.74 GAA (0.61) GAAMEN1KMT2AMAPTLMNA
SCHEMBL10288995 0.74 TDP1 (0.67) GAAMEN1KMT2AMAPTLMNA
SCHEMBL3174768 0.73 MAPT (0.62) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3253804 0.73 ROCK1 (0.68) GAAMEN1KMT2AMAPTLMNA
SCHEMBL2452315 0.73 ELOVL1 (0.72) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL15630753 0.73 KMT2A (0.63) GAAMEN1KMT2AMAPTLMNA
SCHEMBL6157729 0.72 SCD (0.74) MEN1KMT2AMAPTLMNASMN1; SMN2

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-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2018-08-09 US disclosed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US 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-20180221347-A1 CFTR CORRECTOR FOR THE TREATMENT OF GENETIC DISORDERS AFFECTING STRIATED MUSCLE CFTR, CLCN2, ATP4A GAA 148/4885MEN1 3957/4885KMT2A 3813/4885
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT GAA 349/4885MEN1 4634/4885KMT2A 4258/4885

“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.