SCHEMBL16811838

SCHEMBL16811838

Cc1ccc(-c2cccc(C(=O)NC3CCN(Cc4ccc(N5CCC(NC(=O)c6ccccc6)CC5)nc4)CC3)c2Cl)cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.59
▸ PDCD1 Q15116 5/20 0.53
▸ CD274 Q9NZQ7 5/20 0.53
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ DRD4 P21917 3/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47
▸ PRKAG2 Q9UGJ0 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ SLC6A12 P48065 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45

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
SCHEMBL18286500 0.94 SMO (0.57) SMOPDCD1CD274KMT2AMEN1
SCHEMBL16811805 0.92 SMO (0.61) SMOCD274KMT2AMEN1POLB
SCHEMBL16811795 0.92 SMO (0.55) SMOPDCD1CD274POLBDRD4
SCHEMBL16811793 0.91 SMO (0.73) SMOPDCD1CD274KMT2AMEN1
SCHEMBL16811841 0.91 SMO (0.59) SMOKMT2AMEN1POLBDRD4
SCHEMBL16812009 0.90 SMO (0.77) SMOPDCD1CD274KMT2ADRD4
SCHEMBL16811814 0.90 SMO (0.62) SMOPDCD1CD274KMT2AMEN1
SCHEMBL16811788 0.88 SMO (0.51) SMOPDCD1CD274POLBDRD4
SCHEMBL16812719 0.88 SMO (0.52) SMOPDCD1CD274KMT2AMEN1
SCHEMBL16811825 0.88 SMO (0.59) SMOPDCD1CD274KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF UNIV DUKE (US) 2015-06-18 — — 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-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF SMO, SHH, GLI1 SMO 1/4885PDCD1 4160/4885CD274 4285/4885

“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.

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