SCHEMBL3606181

SCHEMBL3606181

COc1ccc(CN2Cc3c(Cl)nnc(Cl)c3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
PTGIR P43119 1/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 1/20 0.45
CMA1 P23946 1/20 0.45
CHKA P35790 1/20 0.44
LMNA P02545 4/20 0.44
CLPP Q16740 1/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL23841620 0.80 DRD2 (0.38) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL31489111 0.79 SIGMAR1 (0.54) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL12616547 0.78 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL31749747 0.77 ABCB1 (0.53) SIGMAR1SMN1; SMN2PTGIRALDH1A1CHKA
SCHEMBL6450318 0.75 SIGMAR1 (0.67) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL20804352 0.75 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRALDH1A1CHKA
SCHEMBL19285228 0.75 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRALDH1A1CHKA
SCHEMBL1043952 0.75 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRALDH1A1CHKA
SCHEMBL22743959 0.74 GAA (0.46) SIGMAR1SMN1; SMN2PTGIRALDH1A1ALOX15
SCHEMBL2628877 0.73 CMA1 (0.56) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL SIGMAR1 2336/4885SMN1; SMN2 3147/4885PTGIR 1772/4885

“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.