SCHEMBL3471441

SCHEMBL3471441

Cn1ccc(-c2ccc(Br)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
ALOX12 P18054 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
MEN1 O00255 3/20 0.44
PPARG P37231 2/20 0.44
NCOA2 Q15596 2/20 0.44
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL18157906 0.72 KMT2A (0.64) SMN1; SMN2KDM4EKMT2ALMNAKEAP1
SCHEMBL5903708 0.72 HDAC1 (0.60)
SCHEMBL2275020 0.72 MAPT (0.35) RAB9ASMN1; SMN2NPC1ALOX12NFKB1
SCHEMBL5903738 0.71 KDM4E (0.50) RAB9AKDM4EKMT2APOLBMEN1
SCHEMBL14510818 0.70 MAPT (0.37) RAB9ASMN1; SMN2NPC1ALOX12NFKB1
SCHEMBL197157 0.69 SNCA (0.50) RAB9ASMN1; SMN2NPC1ALOX12NFKB1
SCHEMBL15885375 0.69 KMT2A (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2898484 0.68 EPHX2 (0.36) RAB9ASMN1; SMN2NPC1ALOX12NFKB1
SCHEMBL9385111 0.68 KMT2A (0.51) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL5889177 0.67 SNCA (0.48) RAB9ASMN1; SMN2NPC1ALOX12NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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 (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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RAB9A 2024/4885SMN1; SMN2 4666/4885NPC1 41/4885

“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.