SCHEMBL8514813

SCHEMBL8514813

CCCc1nc(-c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.68
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR1H3 Q13133 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16900285 0.83 USP2 (0.62) USP2LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL8512156 0.83 USP2 (0.49) USP2LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL12759483 0.80 SIGMAR1 (0.56) USP2TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL13239880 0.80 SMN1; SMN2 (0.53) USP2LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL9881207 0.80 SMN1; SMN2 (0.57) USP2LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL9881206 0.79 HTR7 (0.57) USP2LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL30266369 0.79 SIGMAR1 (0.55) USP2TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL29406946 0.79 SIGMAR1 (0.55) USP2TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL28334618 0.79 SIGMAR1 (0.55) USP2TSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL28216303 0.79 SIGMAR1 (0.55) USP2TSHRSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 US disclosed
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 US disclosed
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 US disclosed
WO-2012070596-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-31 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-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device LAGE3, CRY1, CYBA USP2 3536/4885LMNA 3845/4885TSHR 3302/4885

“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.