SCHEMBL13445014

SCHEMBL13445014

C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1cnc(C(C)(C)O)cn1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.82
SGPL1 O95470 8/20 0.68

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
Leq506 SCHEMBL16721120 0.90 SMO (1.00) SMO
Leq506 SCHEMBL30090497 0.90 SMO (1.00) SMO
Leq506 SCHEMBL29538147 0.90 SMO (1.00) SMO
Leq506 SCHEMBL1140459 0.90 SMO (1.00) SMO
Leq506 SCHEMBL29362923 0.90 SMO (1.00) SMO
Leq506 SCHEMBL3217630 0.90 SMO (1.00) SMO
SCHEMBL1833967 0.88 SMO (0.77) SMOSGPL1
SCHEMBL13445012 0.87 SGPL1 (0.82) SMOSGPL1
SCHEMBL3206295 0.87 SMO (0.84) SMO
SCHEMBL3212832 0.87 SMO (0.84) SMO

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
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-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

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 SMO 5/4885SGPL1 3140/4885

“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.