SCHEMBL1590773

SCHEMBL1590773

CC(C)(C)c1ccc(C(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
PABPC1 P11940 1/20 0.45
EIF4H Q15056 1/20 0.45
DHPS P49366 3/20 0.44
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H4 Q96RI1 3/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR8 P51685 1/20 0.39

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
SCHEMBL1590571 0.87 NPC1 (0.41) RAB9AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1590335 0.86 USP7 (0.39) MAPTP2RX7
SCHEMBL1590368 0.86 CYP1A2 (0.48) RAB9AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1591606 0.85 KMT2A (0.46) RAB9AMEN1KMT2APOLBNPC1
SCHEMBL1590669 0.84 GAA (0.45) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1590969 0.83 CNR2 (0.44) RAB9AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1591090 0.83 IDO1 (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1590453 0.83 TP53 (0.42) KMT2ASMN1; SMN2MAPTNPSR1P2RX7
SCHEMBL1591654 0.83 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL1590765 0.82 CNR2 (0.41) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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-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
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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 (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 RAB9A 3422/4885MEN1 4853/4885KMT2A 4614/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 RAB9A 3422/4885MEN1 4853/4885KMT2A 4614/4885

“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.