SCHEMBL10085458

SCHEMBL10085458

Cc1ccc(N)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
CASP1 P29466 5/20 0.50
TSHR P16473 4/20 0.48
CYP3A4 P08684 2/20 0.46
RECQL P46063 1/20 0.44
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP7 P55210 1/20 0.40
CA9 Q16790 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIA1 P42261 1/20 0.39

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
SCHEMBL31018721 0.82 ALDH1A1 (0.52) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL6553025 0.82 ALDH1A1 (0.52) ALDH1A1CASP1TSHRCYP3A4RECQL
Hydrochloric Acid SCHEMBL28241402 0.80 ALDH1A1 (0.50) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL5953115 0.79 ALDH1A1 (0.54) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL11664879 0.78 LMNA (0.46) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL21649955 0.77 ALDH1A1 (0.52) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL20612874 0.77 ALDH1A1 (0.52) ALDH1A1CASP1TSHRCYP3A4RECQL
P-Xylene SCHEMBL28503019 0.77 ACHE (0.46) ALDH1A1CASP1TSHRCYP3A4RECQL
SCHEMBL268706 0.76 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL8693955 0.76 ALDH1A1 (0.41) ALDH1A1CASP1TSHRCYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3251679-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-12-16 EP disclosed
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2012-04-05 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-8048924-B2 Methods and compositions employing 4-aminophenylacetic acid compounds BIOCON LIMITED (IN) 2011-11-01 US disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 US disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 US disclosed
EP-1965805-B1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2009-12-02 EP disclosed
US-20070060552-A1 Methods and compositions employing 4-aminophenylacetic acid compounds NOBEX CORPORATION 2007-03-15 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 (4 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-20070060552-A1 Methods and compositions employing 4-aminophenylacetic acid compounds PGA5, AADAT, ALPI ALDH1A1 267/4885CASP1 402/4885TSHR 4867/4885
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B ALDH1A1 1630/4885CASP1 4290/4885TSHR 3513/4885
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, SYNCRIP, RNMT ALDH1A1 1280/4885CASP1 4640/4885TSHR 3306/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B ALDH1A1 1547/4885CASP1 4405/4885TSHR 3394/4885

“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.