SCHEMBL4135219

SCHEMBL4135219

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c1CCN(Cc1ccc5c(c1)OCO5)C4=O)(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MAPT P10636 7/20 0.40
LMNA P02545 6/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CRBN Q96SW2 1/20 0.39
PKM P14618 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL4152054 0.95 ALDH1A1 (0.40) ALDH1A1MAPTLMNACRBNPKM
SCHEMBL4140616 0.86 LMNA (0.51) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL13774286 0.86 CRBN (0.37) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL4999118 0.85 P2RX7 (0.41) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL4137906 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2TP53
SCHEMBL4135942 0.82 EPHX2 (0.39) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4140362 0.81 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL5608843 0.80 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL4150372 0.80 P2RX7 (0.47) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL4144957 0.80 ALDH1A1 (0.41) ALDH1A1MAPTLMNACRBNPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US claimed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US claimed
EP-1865774-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-19 EP claimed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US claimed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885MAPT 4477/4885LMNA 1911/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885MAPT 4477/4885LMNA 1911/4885

“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.