SCHEMBL10033962

SCHEMBL10033962

Cc1ncccc1C(=O)OCNN

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.67
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL109206 0.82 TSHR (0.63) P2RX7HTTALDH1A1TSHRL3MBTL1
SCHEMBL29571304 0.82 TSHR (0.63) P2RX7HTTALDH1A1TSHRL3MBTL1
SCHEMBL28216192 0.81 P2RX7 (0.60) P2RX7HTTALDH1A1TSHRL3MBTL1
SCHEMBL113365 0.80 P2RX7 (1.00) P2RX7ALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL28937318 0.80 P2RX7 (0.58) P2RX7HTTALDH1A1TSHRL3MBTL1
SCHEMBL1248162 0.79 P2RX7 (0.66) P2RX7HTTALDH1A1KDM4ETSHR
SCHEMBL27819878 0.79 P2RX7 (0.66) P2RX7HTTALDH1A1KDM4ETSHR
SCHEMBL19852373 0.78 ALDH1A1 (0.64) P2RX7HTTALDH1A1KDM4ETSHR
SCHEMBL28046348 0.78 P2RX7 (0.50) P2RX7HTTALDH1A1KDM4EL3MBTL1
SCHEMBL16118581 0.77 P2RX7 (0.64) P2RX7HTTALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120025178-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025178-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025178-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device LAGE3, CRY1, CYBA P2RX7 3810/4885HTT 4094/4885ALDH1A1 202/4885

“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.