SCHEMBL10014625

SCHEMBL10014625

C[S+]([O-])c1ccccc1-c1cccc2[nH]c3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.45
▸ IMPDH1 P20839 1/20 0.45
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRG1 Q8N1C3 2/20 0.40
▸ GABRG3 Q99928 2/20 0.40
▸ GABRQ Q9UN88 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GPR3 P46089 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
SCHEMBL5933739 0.81 IMPDH2 (0.63) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL1326375 0.79 IMPDH2 (0.61) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL866840 0.79 IMPDH2 (0.61) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL18666115 0.78 CDK4 (0.50) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL19257496 0.77 CDK4 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18687727 0.76 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3715936 0.76 AHR (0.49) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL16522937 0.76 KIF11 (0.46) ALDH1A1GPR3HSD17B10MAPTAHR
SCHEMBL23771655 0.75 CDK4 (0.46) PARP1MEN1KMT2AKDM4EHTT
SCHEMBL20934479 0.75 KIF11 (0.56) IMPDH2IMPDH1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10991890-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same DUK SAN NEOLUX CO., LTD. (KR) 2021-04-27 — — US disclosed
US-10020452-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2018-07-10 — — US disclosed
US-10020452-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2018-07-10 — — US disclosed
US-20150053960-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME DUK SAN NEOLUX CO., LTD. (KR) 2015-02-26 — — US disclosed
US-20150053960-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME DUK SAN NEOLUX CO., LTD. (KR) 2015-02-26 — — US disclosed
US-8889271-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same DUKSAN HIGH METAL CO., LTD. (KR) 2014-11-18 — — US disclosed
US-8889271-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same DUKSAN HIGH METAL CO., LTD. (KR) 2014-11-18 — — US disclosed
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-05 — — US disclosed
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-05 — — 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 (3 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-10991890-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same NOTUM, OR10J3, PER2 IMPDH2 1967/4885IMPDH1 2191/4885GABRP 3819/4885
US-10020452-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same NOTUM, OR10J3, PER2 IMPDH2 1967/4885IMPDH1 2191/4885GABRP 3819/4885
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME NOTUM, OR10J3, PER2 IMPDH2 1967/4885IMPDH1 2191/4885GABRP 3819/4885

“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.

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