Sugi Predict

Sugi Predict / Compounds / SCHEMBL20042614

SCHEMBL20042614

SCHEMBL20042614

c1ccc2c(c1)ccc1sc3nccnc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.37
▸ LMNA P02545 4/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ PMP22 Q01453 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MMP9 P14780 1/20 0.35

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
SCHEMBL20696419 0.78 CYP3A4 (0.34) CYP3A4LMNANQO2NQO1ALDH1A1
SCHEMBL20696377 0.78 CYP3A4 (0.34) CYP3A4LMNANQO2NQO1ALDH1A1
SCHEMBL25461760 0.77 MAOA (0.38) LMNAALDH1A1CYP2A6HSD17B10MAPT
SCHEMBL25571045 0.75 MAPT (0.41) CYP3A4LMNANQO2NQO1ALDH1A1
SCHEMBL20042620 0.75 CYP1A1 (0.40) CYP3A4LMNAALDH1A1TSHRTDP1
SCHEMBL15374732 0.74 GPR3 (0.46) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL31682282 0.74 MAPT (0.46) CYP3A4LMNAALDH1A1TSHRTDP1
SCHEMBL28413365 0.74 MAPT (0.46) CYP3A4LMNAALDH1A1TSHRTDP1
SCHEMBL30062535 0.73 HSD17B10 (0.52) CYP3A4NQO2NQO1ALDH1A1TSHR
SCHEMBL13250616 0.73 HSD17B10 (0.52) CYP3A4NQO2NQO1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10797247-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-10-06 — — US disclosed
US-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-04-12 — — US disclosed
US-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-04-12 — — 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 (2 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-10797247-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof PIEZO1, ORAI2, TRPV2 CYP3A4 2466/4885LMNA 2659/4885NQO2 3707/4885
US-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, TRPV2 CYP3A4 2466/4885LMNA 2659/4885NQO2 3707/4885

“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.