SCHEMBL1901543

SCHEMBL1901543

Nc1ccc(-c2ccc3ccccc3c2)c(N)c1-c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.48
DHFR P00374 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
IKBKB O14920 1/20 0.44
CYP1A2 P05177 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1900896 0.90 ESR1 (0.44) GSTP1DHFRKDM4EHDAC2IKBKB
SCHEMBL931876 0.86 GSTP1 (0.48) GSTP1DHFRKDM4EHDAC4HDAC2
SCHEMBL259164 0.85 GSTP1 (0.47) GSTP1DHFRKDM4EHDAC4HDAC2
SCHEMBL35312 0.85 CYP1A2 (0.52) GSTP1DHFRKDM4EHDAC4HDAC2
SCHEMBL4450641 0.81 CYP1A1 (0.47) GSTP1DHFRKDM4EHDAC4HDAC2
SCHEMBL9319110 0.81 CYP1A2 (0.52) GSTP1DHFRKDM4EHDAC4HDAC2
SCHEMBL28127187 0.79 ALDH1A1 (0.47) GSTP1DHFRKDM4EHDAC4HDAC2
SCHEMBL24432375 0.78 IKBKB (0.46) GSTP1DHFRKDM4EIKBKBCYP1A2
SCHEMBL13643294 0.78 GSTP1 (0.52) GSTP1DHFRKDM4EHDAC4HDAC2
SCHEMBL6308539 0.78 GSTP1 (0.52) GSTP1DHFRKDM4EHDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102616-B2 Organic compound, organic electronic device using same, and terminal for same DUK SAN NEOLUX CO., LTD. (KR) 2015-08-11 US disclosed
US-20120217492-A1 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME DUKSAN HIGH METAL CO., LTD. (KR) 2012-08-30 US disclosed
WO-2011055932-A9 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-09-01 WO disclosed
WO-2011055932-A2 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-05-12 WO disclosed
US-5453519-A Mixing dialkylamines with furfural for stability EXXON CHEMICAL PATENTS INC. (US) 1995-09-26 US disclosed
US-5332842-A Phenylene or naphthalene diamine derivatives EXXON CHEMICAL PATENTS INC. (US) 1994-07-26 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-20120217492-A1 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME OR10J3, OR51E2, ORC3 GSTP1 2004/4885DHFR 2941/4885KDM4E 381/4885

“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.