SCHEMBL3677515

SCHEMBL3677515

C=Cc1c(-c2c[c]c(C(N)=O)nc2)n(C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 2/20 0.38
TEK Q02763 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3675561 0.83 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3685274 0.80 CYP11B2 (0.53) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL3678477 0.71 KMT2A (0.48) ALDH1A1MAPTKDM4EHPGDCYP11B2
SCHEMBL10528743 0.71 ALDH1A1 (0.71) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL3677516 0.69 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL3683229 0.67 CYP11B2 (0.41) CYP11B2
SCHEMBL1605141 0.63 CYP11B2 (0.71) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL3678379 0.63 CYP11B2 (0.35) MAPTRXFP1CYP11B2
SCHEMBL18923289 0.61 TSHR (0.55) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL19365233 0.61 GPR3 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2POLB

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
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 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 (3 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-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 93/4885LMNA 3214/4885MAPT 1537/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 110/4885LMNA 3337/4885MAPT 1182/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 110/4885LMNA 3337/4885MAPT 1182/4885

“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.