SCHEMBL3664012

SCHEMBL3664012

COC(=O)c1ccc(N(N)CCc2ccc(C)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP4A11 Q02928 2/20 0.42
MAPT P10636 5/20 0.41
CYP4F2 P78329 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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
Hydrochloric Acid SCHEMBL3664721 0.99 LOXL2 (0.43) LOXL2GAARAB9ASMN1; SMN2TSHR
SCHEMBL121248 0.80 TSHR (0.39) GAASMN1; SMN2TSHRCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL119950 0.79 TSHR (0.38) GAASMN1; SMN2TSHRCYP1A2CYP2C19
SCHEMBL121734 0.78 AOC3 (0.46) GAARAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL31029130 0.77 AR (0.52) LOXL2GAARAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3656404 0.77 AOC3 (0.45) GAARAB9ASMN1; SMN2TSHRNPC1
SCHEMBL3664015 0.74 MAPT (0.43) LOXL2GAARAB9ASMN1; SMN2TSHR
SCHEMBL1120478 0.73 SMN1; SMN2 (0.38) GAARAB9ASMN1; SMN2TSHRNPC1
SCHEMBL7443540 0.73 MAPK1 (0.53) LOXL2GAARAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3664723 0.73 MAPT (0.42) LOXL2GAARAB9ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130203746-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES INC. 2013-08-08 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
CN-101952284-A Novel tetracyclic compounds MEDIVATION TECHNOLOGIES INC 2011-01-19 CN disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 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 (6 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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A LOXL2 3627/4885GAA 2626/4885RAB9A 876/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A LOXL2 3627/4885GAA 2626/4885RAB9A 876/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A LOXL2 3627/4885GAA 2626/4885RAB9A 876/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A LOXL2 3627/4885GAA 2626/4885RAB9A 876/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A LOXL2 3627/4885GAA 2626/4885RAB9A 876/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A LOXL2 3627/4885GAA 2626/4885RAB9A 876/4885

“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.