SCHEMBL669552

SCHEMBL669552

COc1ccc2cc(C)n(CCN3CCOCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
KDM1A O60341 1/20 0.48
CNR1 P21554 2/20 0.47
CYP1A2 P05177 2/20 0.47
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CNR2 P34972 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL669395 0.90 CREBBP (0.53) NPSR1POLBKDM1ACNR1CYP1A2
SCHEMBL670225 0.81 MAPT (0.49) HTR7ALDH1A1TSHRTP53CNR2
SCHEMBL30641076 0.81 TSHR (0.48) POLBCNR1CYP1A2ALDH1A1TSHR
SCHEMBL30641089 0.81 MAPK1 (0.49) HTR7ALDH1A1TSHRLMNA
SCHEMBL12605660 0.80 HTR7 (0.71) NPSR1POLBKDM1ACNR1CYP1A2
SCHEMBL9037988 0.79 LMNA (0.58) POLBCNR1ALDH1A1TSHRTP53
SCHEMBL23927917 0.78 HTR7 (0.58) NPSR1POLBKDM1ACNR1HTR7
SCHEMBL20505084 0.77 MAPT (0.48) NPSR1SMN1; SMN2TDP1
SCHEMBL12352758 0.75 NPSR1 (0.64) NPSR1POLBCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL2074257 0.74 CNR1 (0.46) NPSR1KDM1ACNR1CYP1A2ALDH1A1

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 NPSR1 4155/4885POLB 662/4885KDM1A 3456/4885

“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.