SCHEMBL3611548

SCHEMBL3611548

Brc1cnc(N2CCCCCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
PANK3 Q9H999 1/20 0.39
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
ALOX15 P16050 1/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL365996 1.00 TSHR (0.49) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL1433020 0.98 ALDH1A1 (0.47) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL3323407 0.93 KDM4E (0.43) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL3529500 0.82 HRH3 (0.54)
SCHEMBL23048205 0.81 HRH4 (0.45) ALDH1A1MAPTKDM4EPANK3USP2
SCHEMBL3188491 0.81 CHRNB2 (0.55) ALDH1A1SMN1; SMN2KDM4EHDAC6USP2
SCHEMBL3621462 0.81 ALDH1A1 (0.58) TSHRALDH1A1MAPK1POLBKDM4E
SCHEMBL11359955 0.80 MAPT (0.53) TSHRALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL28554481 0.80 KDM4E (0.41) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL18488206 0.79 ALDH1A1 (0.39) TSHRALDH1A1MAPK1SMN1; SMN2MAPT

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-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 TSHR 1572/4885ALDH1A1 80/4885MAPK1 2740/4885

“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.