SCHEMBL3000370

SCHEMBL3000370

O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
MEN1 O00255 4/20 0.69
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 2/20 0.61
ATM Q13315 1/20 0.60
JAK2 O60674 1/20 0.59
PKM P14618 1/20 0.59
MCOLN3 Q8TDD5 1/20 0.59
AKR1C3 P42330 1/20 0.58
TSHR P16473 1/20 0.58
TP53 P04637 1/20 0.55

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
SCHEMBL2985822 0.96 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL3105329 0.85 KMT2A (0.69) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL3001164 0.84 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL2985916 0.82 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL2989146 0.82 PKM (0.50) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL2985901 0.81 KMT2A (0.62) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL2996113 0.81 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL5915297 0.81 KMT2A (0.83) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL2996937 0.81 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL5474564 0.81 KMT2A (0.64) KMT2AMEN1ALDH1A1MAPK1L3MBTL1

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 KMT2A 1562/4885MEN1 592/4885ALDH1A1 2873/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR KMT2A 1562/4885MEN1 592/4885ALDH1A1 2873/4885

“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.