SCHEMBL608013

SCHEMBL608013

O=c1ccc2cc3c(cc2[nH]1)NCCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.53
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
F11 P03951 1/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 3/20 0.40
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38

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
SCHEMBL5228055 0.95 AR (0.49) ARKDM4EMAPTCA12CA9
SCHEMBL13849655 0.80 CA12 (0.48) ARKDM4ECA12CA9CA1
SCHEMBL13849654 0.80 GRIN2D (0.53) ARCA12CA9CA1CA3
SCHEMBL13849659 0.78 CA12 (0.47) ARKDM4ECA12CA9CA1
SCHEMBL9703662 0.75 AR (0.52) ARKDM4EMAPTCA12CA9
SCHEMBL718661 0.73 CA12 (0.46) ARCA12CA9CA1CA3
SCHEMBL11552058 0.71 ATM (0.58) ARKDM4EMAPTCA12CA9
SCHEMBL1437934 0.71 ALDH1A1 (0.49) ARKDM4EMAPTCA12CA9
SCHEMBL17951770 0.69 MAPK1 (0.68) ARMAPTCA12CA9CA1
SCHEMBL31497397 0.69 CA12 (0.44) ARKDM4EMAPTCA12CA9

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-8859599-B2 Androgen receptor modulating compounds, preparation and uses thereof CNR—Consiglio Nazionale Delle Ricerche (IT) 2014-10-14 US disclosed
US-8741951-B2 Non-steroidal compounds for androgen receptor modulation CNR—Consiglio Nazionale Delle Ricerche (IT) 2014-06-03 US disclosed
US-20120041046-A1 NON-STEROIDAL COMPOUNDS FOR ANDROGEN RECEPTOR MODULATION CNR - CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2012-02-16 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 (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-20120041046-A1 NON-STEROIDAL COMPOUNDS FOR ANDROGEN RECEPTOR MODULATION NR5A1, AR, SHBG AR 2/4885KDM4E 2249/4885MAPT 4552/4885

“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.