SCHEMBL14278014

SCHEMBL14278014

C=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ FKBP5 Q13451 1/20 0.42
▸ MEN1 O00255 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL14364359 0.87 KMT2A (0.42) KMT2ANPC1RAB9AFKBP5MEN1
SCHEMBL14278310 0.86 KMT2A (0.42) KMT2ANPC1RAB9AFKBP5MEN1
SCHEMBL14278278 0.84 MAPT (0.40) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL14278286 0.79 RAB9A (0.46) KMT2ANPC1RAB9AMEN1
SCHEMBL14135646 0.75 KMT2A (0.46) KMT2AALDH1A1POLB
SCHEMBL14278281 0.74 KMT2A (0.32) KMT2AMEN1LMNA
SCHEMBL14277994 0.74 SLC40A1 (0.41) KMT2ALMNASMN1; SMN2ALDH1A1POLB
SCHEMBL14278001 0.73 ALDH1A1 (0.51) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL14277995 0.73 HTR6 (0.37) KMT2ALMNA
SCHEMBL14278276 0.72 HTR6 (0.36) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — 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 (2 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 KMT2A 3407/4885NPC1 177/4885RAB9A 4474/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 KMT2A 3407/4885NPC1 177/4885RAB9A 4474/4885

“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.

Send feedback