SCHEMBL8770855

SCHEMBL8770855

O=C(Nc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccccc4)cc3)o2)cc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.74
RAB9A P51151 6/20 0.74
TSHR P16473 3/20 0.74
ALDH1A1 P00352 3/20 0.74
HPGD P15428 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
PTPN1 P18031 4/20 0.69
SMO Q99835 1/20 0.66
ABCG2 Q9UNQ0 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HSD17B10 Q99714 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPK1 P28482 2/20 0.64
USP2 O75604 1/20 0.64
ADCY1 Q08828 1/20 0.63
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.62
KDM4E B2RXH2 2/20 0.61
HTT P42858 1/20 0.61

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
SCHEMBL24474001 0.90 SMN1; SMN2 (0.67) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL13878320 0.90 NPC1 (0.61) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL24473971 0.89 ADCY1 (0.74) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL24474019 0.89 KDM4E (0.74) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL26078532 0.89 NPC1 (0.64) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL24473993 0.86 NPC1 (0.61) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL16521629 0.84 ADCY1 (0.65) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL12111915 0.84 NPC1 (0.67) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL30587155 0.83 NPC1 (0.61) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL24473983 0.83 NPC1 (0.61) NPC1RAB9ATSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885RAB9A 3140/4885TSHR 1185/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885RAB9A 3140/4885TSHR 1185/4885

“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.