SCHEMBL2669454

SCHEMBL2669454

C=C(C#N)C(=O)NCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ EPHX1 P07099 2/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ HPGD P15428 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
SCHEMBL7542437 0.88 EPHX1 (0.44) MCL1ALDH1A1TSHRMMP2EPHX1
SCHEMBL7550275 0.86 EPHX1 (0.48) MCL1ALDH1A1TSHREPHX1KMT2A
SCHEMBL7544676 0.85 EPHX1 (0.52) ALDH1A1EPHX1KMT2AMEN1SMN1; SMN2
SCHEMBL7548924 0.85 EPHX1 (0.52) ALDH1A1EPHX1KMT2AMEN1SMN1; SMN2
SCHEMBL7550564 0.85 EPHX1 (0.52) ALDH1A1EPHX1KMT2AMEN1SMN1; SMN2
SCHEMBL7550565 0.85 EPHX1 (0.52) ALDH1A1EPHX1KMT2AMEN1SMN1; SMN2
SCHEMBL7546089 0.85 EPHX1 (0.52) ALDH1A1EPHX1KMT2AMEN1SMN1; SMN2
SCHEMBL7543531 0.83 ALDH1A1 (0.42) MCL1ALDH1A1TSHRKMT2AMEN1
SCHEMBL13489954 0.83 — —
SCHEMBL7544393 0.81 ALDH1A1 (0.47) MCL1ALDH1A1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065314-A1 COMPOSITIONS AND METHOD FOR STIMULATING HAIR GROWTH S.N. BIOTECH, INC. 2002-05-30 — — US claimed
EP-0824316-A4 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 2001-01-17 — — EP claimed
US-5767152-A USING A CYANOCARBOXYLIC ACID S.N. BIOTECH, INC. 1998-06-16 — — US claimed
EP-0824316-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH Nielsen, Thor, B. (US) 1998-02-25 — — EP claimed
WO-1996034526-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 1996-11-07 — — WO claimed
WO-2008155573-A1 CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA ASTRAZENECA AB (SE) 2008-12-24 — — WO disclosed
US-20020065314-A1 COMPOSITIONS AND METHOD FOR STIMULATING HAIR GROWTH S.N. BIOTECH, INC. 2002-05-30 — — US disclosed
EP-0824316-A4 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 2001-01-17 — — EP disclosed
US-5767152-A USING A CYANOCARBOXYLIC ACID S.N. BIOTECH, INC. 1998-06-16 — — US disclosed
EP-0824316-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH Nielsen, Thor, B. (US) 1998-02-25 — — EP disclosed
WO-1996034526-A1 COMPOSITIONS AND METHODS FOR STIMULATING HAIR GROWTH NIELSEN THOR B (US) 1996-11-07 — — 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-20020065314-A1 COMPOSITIONS AND METHOD FOR STIMULATING HAIR GROWTH AREG, NGF, HDGF MCL1 1408/4885ALDH1A1 3677/4885TSHR 148/4885

“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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