SCHEMBL12136715

SCHEMBL12136715

O=C(Nc1ccc(C23CC4CC(CC(c5ccccc5)(C4)C2)C3)cc1)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.58
▸ NPC1 O15118 9/20 0.56
▸ RAB9A P51151 9/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ GFER P55789 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ THRB P10828 1/20 0.48
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CASP2 P42575 1/20 0.47

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
SCHEMBL17344404 0.81 PGR (0.82) PGRNPC1RAB9AMEN1KMT2A
SCHEMBL1929165 0.75 NPC1 (0.85) NPC1RAB9AMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL31228835 0.73 NPC1 (0.82) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL28205308 0.73 NPC1 (0.82) PGRNPC1MEN1KMT2AMAPT
SCHEMBL11887623 0.72 MEN1 (1.00) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL7522642 0.72 NPC1 (0.80) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL1352813 0.71 GRIN2D (0.75) PGRNPC1RAB9AMEN1KMT2A
SCHEMBL1578178 0.71 ALDH1A1 (0.54) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8771200 0.70 NPC1 (0.89) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL19392293 0.70 NPC1 (0.89) NPC1RAB9AMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 — — US disclosed
US-20070232661-A1 Hedgehog Pathway Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 — — 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-20070232661-A1 Hedgehog Pathway Antagonists GLI1, SHH, SMO PGR 2583/4885NPC1 1048/4885RAB9A 990/4885

“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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