SCHEMBL6784295

SCHEMBL6784295

CC(C(=O)O)c1ccc(N2CC3CCCCC3C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PGR P06401 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
DRD1 P21728 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTGS1 P23219 10/20 0.44

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
SCHEMBL11615277 0.80 ALDH1A1 (0.51) SMN1; SMN2TP53KMT2AHTTNPC1
SCHEMBL13046380 0.77 ALDH1A1 (0.51) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL10447256 0.77 ALDH1A1 (0.51) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL6789593 0.76 KMT2A (0.43) KMT2ALIPEPTGER4
SCHEMBL6790497 0.75 CCNA2 (0.71) CCNA2CDK2
SCHEMBL11615140 0.74 PPOX (0.43) SMN1; SMN2TP53KMT2AHTTNPC1
SCHEMBL6790452 0.74 CCNA2 (0.56) SMN1; SMN2TP53KMT2AHTTNPC1
SCHEMBL6783378 0.73 LMNA (0.50) SMN1; SMN2TP53KMT2AHTTNPC1
SCHEMBL5726769 0.72 ALDH1A1 (0.62) SMN1; SMN2TP53KMT2AHTTNPC1
SCHEMBL5726374 0.72 ALDH1A1 (0.62) SMN1; SMN2TP53KMT2AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents PHARMACIA ITALIA SPA (IT) 2004-01-29 US disclosed
EP-1345909-A1 PHENYLACETAMIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-09-24 EP disclosed
WO-2002048114-A1 PHENYLACETAMIDO- PYRAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2002-06-20 WO disclosed
US-4116972-A ANTI-INFLAMMATORY 1-OXO-ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION FUJI CHEMICAL INDUSTRY COMPANY LIMITED (JP) 1978-09-26 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 (3 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-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B SMN1; SMN2 1/4885TP53 4512/4885KMT2A 828/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B SMN1; SMN2 1/4885TP53 4615/4885KMT2A 1048/4885
US-20040019046-A1 Phenylacetamido-pyrazole derivatives and their use as antitumor agents DCK, CCNK, CDK2 SMN1; SMN2 3156/4885TP53 10/4885KMT2A 1495/4885

“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.