SCHEMBL3000456

SCHEMBL3000456

O=S(=O)(c1ccc(Cl)c(B(O)O)c1)N1CCOc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
POLB P06746 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 1/20 0.48
NR1H3 Q13133 2/20 0.45
CYP2C9 P11712 1/20 0.44
NAMPT P43490 1/20 0.43
PKM P14618 5/20 0.43
PKLR P30613 4/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
HTR6 P50406 1/20 0.42
RORC P51449 1/20 0.42
NR1H2 P55055 1/20 0.42
MAPT P10636 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL5474787 0.83 NPC1 (0.58) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL2995685 0.83 NPC1 (0.58) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL4901779 0.81 NPC1 (0.57) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL3001581 0.81 VCAM1 (0.55) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL16217090 0.77 NPC1 (0.74) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL5464472 0.77 NPC1 (0.50) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL3001537 0.77 NPC1 (0.50) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL25442268 0.77 NPC1 (0.69) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL31750670 0.77 NPC1 (0.62) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL2996775 0.75 KMT2A (0.52) MEN1KMT2AALDH1A1LMNA

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
US-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO 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-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR NPC1 1163/4885POLB 3705/4885MEN1 592/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR NPC1 1163/4885POLB 3705/4885MEN1 592/4885

“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.