SCHEMBL16763557

SCHEMBL16763557

COc1ccc(-c2cc3[nH]ccc3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
PDPK1 O15530 1/20 0.45

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
SCHEMBL5035941 0.72 MEN1 (0.40) MAPK1KMT2AMEN1POLBPSMB8
SCHEMBL1665299 0.71 NPC1 (0.56) APPNPC1RAB9AALDH1A1HPGD
SCHEMBL31310542 0.71 NPC1 (0.56) APPNPC1RAB9AALDH1A1HPGD
SCHEMBL16763492 0.71 PTPN1 (0.48) APPNPC1RAB9AALDH1A1HPGD
SCHEMBL28332329 0.70 KMT2A (0.61) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL6173418 0.70 RAB9A (0.68) APPNPC1RAB9AALDH1A1HPGD
SCHEMBL1181273 0.68 APP (1.00) APPNPC1RAB9AALDH1A1HPGD
SCHEMBL7089083 0.68 NPC1 (0.62) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL30620465 0.68 MEN1 (0.73) NPC1MAPK1KMT2AMEN1POLB
SCHEMBL1224829 0.68 MEN1 (0.73) NPC1MAPK1KMT2AMEN1POLB

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-9611281-B2 BODIPY derivatives and methods of synthesis and use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-04-04 US disclosed
US-20150158888-A1 BODIPY Derivatives and Methods of Synthesis and Use Thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2015-06-11 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-20150158888-A1 BODIPY Derivatives and Methods of Synthesis and Use Thereof FDPS, FDFT1, BCR APP 1766/4885NPC1 29/4885RAB9A 2603/4885

“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.