SCHEMBL12017182

SCHEMBL12017182

CCc1nc2c(cc1NC(=O)c1ccsc1)c(OCCF)c(C(=O)NC1CCN(C(=O)CO)CC1)n2C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CCR8 P51685 2/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL10003202 0.91 SMO (0.50) SMOSMN1; SMN2EPHX2
SCHEMBL10003649 0.89 SMO (0.38) SMOSMN1; SMN2HSD17B10LMNAALDH1A1
SCHEMBL12017181 0.84 SMO (0.40) SMOALDH1A1CCR8MEN1KMT2A
SCHEMBL10003025 0.83 SMO (0.43) SMOSMN1; SMN2HSD17B10LMNAGLA
SCHEMBL10003951 0.83 SMO (0.49) SMOHSD17B10LMNAGLACTDSP1
SCHEMBL10292614 0.81 SMO (0.41) SMOEPHX2ALDH1A1MEN1KMT2A
SCHEMBL10003592 0.81 SMO (0.59) SMOHSD17B10LMNAGLACTDSP1
SCHEMBL10292942 0.81 SMO (0.41) SMOHSD17B10EPHX2HPGD
SCHEMBL10003363 0.80 SMO (0.52) SMOSMN1; SMN2EPHX2ALDH1A1CCR8
SCHEMBL10003350 0.80 SMO (0.51) SMOSMN1; SMN2EPHX2ALDH1A1

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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — 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-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH SMO 1/4885SMN1; SMN2 3164/4885HSD17B10 1201/4885

“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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