SCHEMBL6740180

SCHEMBL6740180

COc1ccc2c(c1)nc(Cl)n2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACSS2 Q9NR19 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
FGFR1 P11362 1/20 0.40

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
SCHEMBL6742849 0.82 ALDH1A1 (0.45) ALDH1A1POLBHTTSMN1; SMN2TDP1
SCHEMBL6737850 0.80 AGPAT2 (0.41) ALDH1A1HTTKDM4EHSD17B10ACSS2
SCHEMBL25443596 0.76 ALDH1A1 (0.55) ALDH1A1POLBHTTKDM4EHSD17B10
SCHEMBL6742556 0.73 PKM (0.48) ALDH1A1KDM4E
SCHEMBL17422732 0.73 KDM4E (0.54) ALDH1A1POLBKDM4EHSD17B10SMN1; SMN2
SCHEMBL25442341 0.73 TDP1 (0.47) ALDH1A1POLBHTTKDM4EHSD17B10
SCHEMBL6738861 0.73 GAA (0.43) ALDH1A1POLBKDM4EHPGD
SCHEMBL18765270 0.71 BRD4 (0.46) ALDH1A1POLBHTTSMN1; SMN2TDP1
SCHEMBL1852575 0.70 MAPT (0.48) ALDH1A1POLBHTTKDM4EHSD17B10
SCHEMBL6566818 0.69 KDM4E (0.45) ALDH1A1HTTKDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058905-A1 Immunosuppressants; Alzheimer's diseases; central nervous system disorders; strokes PFIZER INC. 2004-03-25 US disclosed
US-6686357-B1 BENZIMIDAZOLO-PIPERIDINE COMPOUND PFIZER, INC. 2004-02-03 US disclosed
US-6509464-B1 1-Heteroaryl-pyrrolidine, piperidine, or homopiperidine derivates; nervous system disorder treatment; amidation PFIZER INC 2003-01-21 US disclosed
US-6495549-B1 1-HETEROARYL-PIPERIDINE DERIVATIVES; MODERATING NEURONAL DEGENERATION; PROMOTING NEURONAL REGENERATION AND OUTGROWTH; TREATOG NEUROLOGICAL DISORDERS ARISING FROM NEURODEGENERATIVE DISEASES OR OTHER DISORDERS INVOLVING NERVE DAMAGE PFIZER INC 2002-12-17 US disclosed
EP-1098894-A1 FKBP INHIBITORS Pfizer Limited (GB) 2001-05-16 EP disclosed
US-6166011-A FKBP inhibitors PFIZER INC (US) 2000-12-26 US disclosed
WO-2000005231-A1 FKBP INHIBITORS PFIZER LIMITED (GB) 2000-02-03 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-20040058905-A1 Immunosuppressants; Alzheimer's diseases; central nervous system disorders; strokes FKBP1A, FKBP4, FKBP1B ALDH1A1 983/4885POLB 4709/4885HTT 424/4885

“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.