SCHEMBL838415

SCHEMBL838415

COc1ccc2nc(Nc3nc(C)cc(CSc4nc5ccccc5[nH]4)n3)nc(C)c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.77
LMNA P02545 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.60
PAX8 Q06710 1/20 0.60
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
CYP2D6 P10635 8/20 0.54
CYP2C9 P11712 8/20 0.54
CYP2C19 P33261 8/20 0.54
CYP3A4 P08684 7/20 0.54
CYP1A2 P05177 6/20 0.54
KMT2A Q03164 3/20 0.54
ALPL P05186 1/20 0.54
XBP1 P17861 1/20 0.54
STAT3 P40763 1/20 0.54
HTT P42858 1/20 0.54
CYP2E1 P05181 7/20 0.53
CYP2C8 P10632 7/20 0.53
CYP2B6 P20813 7/20 0.53

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
SCHEMBL837686 0.92 MAPT (0.73) MAPTLMNASMN1; SMN2PAX8NOS3
SCHEMBL30917224 0.92 MAPT (0.73) MAPTLMNASMN1; SMN2PAX8NOS3
SCHEMBL13993033 0.79 LMNA (0.60) MAPTLMNASMN1; SMN2PAX8NOS3
SCHEMBL15840668 0.75 MAPT (1.00) MAPTLMNASMN1; SMN2PAX8CYP2D6
SCHEMBL22833850 0.73 NPSR1 (0.62) MAPTLMNASMN1; SMN2PAX8CYP2C9
SCHEMBL6470146 0.70 MAPT (0.61) MAPTLMNASMN1; SMN2KMT2AHTT
SCHEMBL4650010 0.70 CYP2E1 (1.00) LMNASMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL2246151 0.70 RAB9A (1.00) MAPTLMNASMN1; SMN2NOS3NOS1
SCHEMBL17988273 0.69 NPSR1 (0.62) MAPTLMNASMN1; SMN2KMT2ASTAT3
SCHEMBL9052994 0.69 MAPT (0.60) MAPTLMNASMN1; SMN2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT MAPT 4358/4885LMNA 2145/4885SMN1; SMN2 3815/4885

“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.