SCHEMBL4394922

SCHEMBL4394922

Nc1cc(CBr)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CDC25B P30305 1/20 0.52
CASP6 P55212 1/20 0.52
RCE1 Q9Y256 1/20 0.52
KDM4E B2RXH2 6/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 2/20 0.47
PPM1B O75688 1/20 0.46
IDO1 P14902 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 4/20 0.42
GFER P55789 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
THRB P10828 3/20 0.41
MCL1 Q07820 2/20 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
SCHEMBL27687301 0.85 ALDH1A1 (0.72) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL25173858 0.84 ALDH1A1 (0.55) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL31118788 0.84 ALDH1A1 (0.71) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL301452 0.84 ALDH1A1 (0.71) ALDH1A1CDC25BCASP6RCE1KDM4E
Bromide SCHEMBL28682203 0.83 ALDH1A1 (0.70) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL20793892 0.82 ALDH1A1 (0.53) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL9349442 0.82 ALDH1A1 (0.53) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL2857663 0.82 KLKB1 (0.48) ALDH1A1CDC25BCASP6RCE1HSD17B10
SCHEMBL1685286 0.81 ALDH1A1 (0.52) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL1885937 0.81 ALDH1A1 (0.52) ALDH1A1CDC25BCASP6RCE1KDM4E

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-7582755-B2 Such as 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester by reacting cyanopyrrole with coupling agent, reacting with anthranilic alcohol or anthranilic nitro alcohol to form cyanopyrrole substituted anthranilic alcohol or cyanopyrrole substituted anthranilic nitro alcohol, reducing WYETH (US) 2009-09-01 US claimed
EP-1756095-B1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH CORP (US) 2008-05-21 EP claimed
EP-1756095-A2 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME Wyeth (US) 2007-02-28 EP claimed
WO-2005105739-A2 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2005-11-10 WO claimed
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2005-10-27 US claimed
CN-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed
US-12012410-B2 Substituted pyrazolo[1,5-a]pyrazines for spinal muscular atrophy REBORNA BIOSCIENCES, INC. (JP) 2024-06-18 US disclosed
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US disclosed
EP-3816160-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY Reborna Biosciences, Inc. (JP) 2021-05-05 EP disclosed
CN-112469707-A Prophylactic or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2021-03-09 CN disclosed
CN-101506155-A Biphenyl derivatives and their use in the treatment of hepatitis C ARROW THERAPEUTICS LTD (GB) 2009-08-12 CN 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-12012410-B2 Substituted pyrazolo[1,5-a]pyrazines for spinal muscular atrophy SMN1; SMN2, HDAC5, PUM1 ALDH1A1 1801/4885CDC25B 3849/4885CASP6 3695/4885
US-20050239779-A1 Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same CBR3, MMAB, CTH ALDH1A1 1095/4885CDC25B 189/4885CASP6 1826/4885

“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.