SCHEMBL3729153

SCHEMBL3729153

NCC(=O)NC1CCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
TSHR P16473 2/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 3/20 0.63
POLB P06746 2/20 0.62
DHODH Q02127 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
EPHX1 P07099 1/20 0.60
TAOK1 Q7L7X3 1/20 0.60
TAOK3 Q9H2K8 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL14414533 1.00 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
Hydrochloric Acid SCHEMBL5183067 0.99 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL2463232 0.91 ALDH1A1 (0.61) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL22756633 0.90 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTPOLB
Hydrochloric Acid SCHEMBL5969973 0.90 ALDH1A1 (0.59) ALDH1A1TSHRHPGDHTTPOLB
Hydrochloric Acid SCHEMBL5970478 0.90 ALDH1A1 (0.59) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL3151520 0.86 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL4009579 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL20990440 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL53323 0.85 ALDH1A1 (1.00) ALDH1A1TSHRHPGDHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678121-A4 TAO KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2007-07-25 EP claimed
EP-1678121-A2 TAO KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-07-12 EP claimed
WO-2005040355-A2 TAO KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-05-06 WO claimed
EP-3180003-B1 PKC-EPSILON INHIBITORS UNIV CALIFORNIA (US) 2022-01-12 EP disclosed
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed
EP-1140852-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARAMACEUTICAL USE AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000035882-A1 1,2,3,4-TETRAHYDRONAPHTHALENES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2000-06-22 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 (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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS ALDH1A1 4425/4885TSHR 3117/4885HPGD 1747/4885
US-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 ALDH1A1 4424/4885TSHR 2539/4885HPGD 2940/4885

“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.