Sugi Predict

Sugi Predict / Compounds / SCHEMBL6311666

SCHEMBL6311666

SCHEMBL6311666

CNc1ccc(N)c(C(C)=C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RECQL P46063 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ CDC25B P30305 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32

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
SCHEMBL6311659 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL6311663 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL6312255 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL17774946 0.77 IKBKB (0.49) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL9622865 0.77 KDM4E (0.57) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL6307425 0.75 TDP1 (0.52) ALDH1A1HSD17B10ALOX15KDM4EHPGD
Hydrochloric Acid SCHEMBL6304717 0.74 TDP1 (0.55) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL17774904 0.73 MAP4K1 (0.45) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL13548437 0.72 TDP1 (0.46) ALDH1A1HSD17B10ALOX15HPGDTSHR
SCHEMBL30724396 0.72 TDP1 (0.46) ALDH1A1HSD17B10ALOX15HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849766-B2 1,4-diamino-2-alkenylbenzene derivatives, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 — — US disclosed
EP-1351921-B1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-12-01 — — EP disclosed
EP-1351921-A1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-10-15 — — EP disclosed
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-03 — — US disclosed
WO-2002057214-A1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-07-25 — — WO 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-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds AOC1, AOX1, GPX1 ALDH1A1 5/4885HSD17B10 666/4885ALOX15 557/4885

“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.