SCHEMBL1590370

SCHEMBL1590370

CCOc1ccc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.41
CCR8 P51685 1/20 0.41
TP53 P04637 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
SCHEMBL1590363 0.91 RAB9A (0.52) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL1591425 0.88 LMNA (0.46) MAPTLMNARXFP1RAB9ASMN1; SMN2
SCHEMBL1590776 0.86 RAB9A (0.47) KMT2AMEN1MAPTGAALMNA
SCHEMBL1590338 0.85 ACKR3 (0.46) MAPTLMNACCR8
SCHEMBL1591656 0.84 MEN1 (0.45) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL1591609 0.81 NPC1 (0.47) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL1590703 0.81 P2RX7 (0.53) KMT2AMEN1MAPTGAALMNA
SCHEMBL1590249 0.81 ALDH1A1 (0.40) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL1590769 0.81 ACKR3 (0.46) KMT2AMEN1LMNACYP2C19ALDH1A1
SCHEMBL1591062 0.81 TSHR (0.47) KMT2AMEN1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed

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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885MAPT 4477/4885

“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.