SCHEMBL4200619

SCHEMBL4200619

O=C(O)Cc1ccc(N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
PKM P14618 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 2/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
PGR P06401 1/20 0.60
CYP3A4 P08684 1/20 0.60
GAA P10253 1/20 0.60
NFKB1 P19838 1/20 0.60
DRD1 P21728 1/20 0.60
HTT P42858 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HTR1A P08908 1/20 0.60

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
Methane SCHEMBL11254296 0.99 NPC1 (0.65) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL11665938 0.89 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL8617302 0.86 RAB9A (0.63) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL11640452 0.84 NPC1 (0.61) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL1468602 0.84 RAB9A (0.60) NPC1RAB9APKMSMN1; SMN2TP53
Indoprofen SCHEMBL27722126 0.84 NPC1 (0.74) NPC1RAB9APKMSMN1; SMN2TP53
Propionic Acid SCHEMBL1764372 0.82 NPC1 (0.76) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL11641152 0.82 NPC1 (0.59) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL29874794 0.81 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL4188221 0.81 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2TP53

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 12 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-20090031435-A1 SMA Therapy and Cell Based Assay STOCKWELL BRENT R 2009-01-29 US disclosed
WO-2006050451-A2 METHODS AND COMPOSITIONS TO TREAT MOTOR NEURON DISEASE WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2006-05-11 WO disclosed
US-20040044063-A1 SMA therapy and cell based assay for identifying therapies NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-04 US disclosed
EP-0380316-A2 Preparation of alpha-methylareneacetic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1990-08-01 EP disclosed
EP-0047674-B1 NOVEL PROCESS FOR PREPARING ISOINDOLIN DERIVATIVES HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1984-02-29 EP disclosed
US-4400520-A Novel process for preparing isoindoline derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1983-08-23 US disclosed
EP-0047674-A1 Novel process for preparing isoindolin derivatives HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1982-03-17 EP disclosed
US-4118504-A ANALGESICS, ANTIINFLAMMATORY AGENTS Erba, Carlo (IT) 1978-10-03 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-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B NPC1 1076/4885RAB9A 1487/4885PKM 1256/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B NPC1 1202/4885RAB9A 1591/4885PKM 1033/4885
US-20090031435-A1 SMA Therapy and Cell Based Assay SMN1; SMN2, RBM17, RBM22 NPC1 3419/4885RAB9A 1840/4885PKM 1598/4885
US-20040044063-A1 SMA therapy and cell based assay for identifying therapies SMN1; SMN2, RBM17, RBM22 NPC1 3326/4885RAB9A 1912/4885PKM 1554/4885

“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.