SCHEMBL20622955

SCHEMBL20622955

c1ccc2c(-c3cccc4c(-c5cccc6[nH]c7ccccc7c56)[nH]nc34)onc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.35
▸ IMPDH1 P20839 1/20 0.35
▸ GABRP O00591 6/20 0.33
▸ GABRD O14764 6/20 0.33
▸ GABRA1 P14867 6/20 0.33
▸ GABRB1 P18505 6/20 0.33
▸ GABRG2 P18507 6/20 0.33
▸ GABRB3 P28472 6/20 0.33
▸ GABRA5 P31644 6/20 0.33
▸ GABRA3 P34903 6/20 0.33
▸ GABRA2 P47869 6/20 0.33
▸ GABRB2 P47870 6/20 0.33
▸ GABRA4 P48169 6/20 0.33
▸ GABRE P78334 6/20 0.33
▸ GABRA6 Q16445 6/20 0.33
▸ GABRG1 Q8N1C3 6/20 0.33
▸ GABRG3 Q99928 6/20 0.33
▸ GABRQ Q9UN88 6/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ CHEK1 O14757 1/20 0.33

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
SCHEMBL21348350 0.68 ALDH1A1 (0.33) PARP1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5933739 0.67 IMPDH2 (0.63) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL1326375 0.66 IMPDH2 (0.61) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL866840 0.66 IMPDH2 (0.61) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL31001160 0.64 ALDH1A1 (0.46) POLBNPC1TP53CASP1RAB9A
SCHEMBL20261907 0.62 IMPDH2 (0.55) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL1177888 0.62 IMPDH2 (0.55) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL1669833 0.62 IMPDH2 (0.55) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL31664385 0.62 IMPDH2 (0.55) IMPDH2IMPDH1GABRPGABRDGABRA1
SCHEMBL5038338 0.61 IMPDH2 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190006609-A1 ORGANIC FUNCTIONAL COMPOUND FOR PREPARING ORGANIC ELECTRONIC DEVICE AND APPLICATION THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-01-03 — — 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-20190006609-A1 ORGANIC FUNCTIONAL COMPOUND FOR PREPARING ORGANIC ELECTRONIC DEVICE AND APPLICATION THEREOF FES, KCNA7, KCNE1 IMPDH2 4202/4885IMPDH1 4268/4885GABRP 2041/4885

“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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