SCHEMBL669395

SCHEMBL669395

COc1ccc2c(c1)cc(C)n2CCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.53
BRD4 O60885 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
KDM1A O60341 1/20 0.48
CNR1 P21554 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CNR2 P34972 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL669552 0.90 NPSR1 (0.48) NPSR1POLBKDM1ACNR1ALDH1A1
SCHEMBL7217397 0.82 L3MBTL1 (0.57) NPSR1POLBCNR1ALDH1A1CNR2
SCHEMBL4539709 0.82 ALDH1A1 (0.57) CNR1ALDH1A1TSHRSMN1; SMN2CNR2
SCHEMBL23927917 0.81 HTR7 (0.58) NPSR1POLBKDM1ACNR1ALDH1A1
SCHEMBL670091 0.81 MAPT (0.52) CREBBPALDH1A1TSHRCNR2TP53
SCHEMBL9037988 0.79 LMNA (0.58) CREBBPPOLBCNR1ALDH1A1TSHR
SCHEMBL2074257 0.77 CNR1 (0.46) NPSR1KDM1ACNR1ALDH1A1TSHR
SCHEMBL16197697 0.77 HTR2A (0.51) NPSR1POLBKDM1AALDH1A1TSHR
SCHEMBL31121588 0.76 KDM4E (0.64) ALDH1A1SMN1; SMN2CNR2TDP1
SCHEMBL11682381 0.76 KDM4E (0.64) ALDH1A1SMN1; SMN2CNR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034895-B2 Composition and methods for treating glioblastoma UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-05-19 US disclosed
US-9034895-B2 Composition and methods for treating glioblastoma UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-05-19 US disclosed
US-9034895-B2 Composition and methods for treating glioblastoma UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-05-19 US disclosed
EP-2606032-B1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMAS UNIV WASHINGTON CT COMMERCIALI (US) 2015-01-07 EP disclosed
EP-2606032-B1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMAS UNIV WASHINGTON CT COMMERCIALI (US) 2015-01-07 EP disclosed
US-20130197026-A1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA Unversity of Washington Through its Center for Commercialization (US) 2013-08-01 US disclosed
US-20130197026-A1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA Unversity of Washington Through its Center for Commercialization (US) 2013-08-01 US disclosed
US-20130197026-A1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA Unversity of Washington Through its Center for Commercialization (US) 2013-08-01 US disclosed
EP-2606032-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA University Of Washington Through Its Center For Commercialization (US) 2013-06-26 EP disclosed
WO-2012024670-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO disclosed
WO-2012024670-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 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 (1 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-20130197026-A1 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA MGMT, NEFM, TP53 CREBBP 309/4885BRD4 1845/4885NPSR1 4155/4885

“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.