SCHEMBL1590776

SCHEMBL1590776

CC(C)(C)c1ccc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
DHPS P49366 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PABPC1 P11940 1/20 0.46
EIF4H Q15056 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
CCR8 P51685 2/20 0.43
DHODH Q02127 2/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACKR3 P25106 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 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
SCHEMBL1590338 0.87 ACKR3 (0.46) CCR8ACKR3LMNAMAPTP2RX7
SCHEMBL1590370 0.86 KMT2A (0.47) RAB9ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL1591609 0.85 NPC1 (0.47) RAB9AMEN1KMT2APOLBCCR8
SCHEMBL1590454 0.84 TP53 (0.44) MEN1KMT2AKDM4ELMNAP2RX7
SCHEMBL1591093 0.84 LMNA (0.45) MEN1KMT2AKDM4EACKR3LMNA
SCHEMBL1590972 0.84 CNR2 (0.46) RAB9ASMN1; SMN2KDM4ENPC1L3MBTL1
SCHEMBL1591656 0.84 MEN1 (0.45) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1590769 0.83 ACKR3 (0.46) MEN1KMT2AALDH1A1ACKR3LMNA
SCHEMBL1590875 0.82 KMT2A (0.41) SMN1; SMN2MEN1KMT2AKDM4ECCR8
SCHEMBL1591479 0.82 PDE4D (0.47) RAB9ASMN1; SMN2MEN1KMT2AKDM4E

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 RAB9A 3422/4885DHPS 3023/4885SMN1; SMN2 4369/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 RAB9A 3422/4885DHPS 3023/4885SMN1; SMN2 4369/4885

“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.