SCHEMBL688977

SCHEMBL688977

CC(=O)c1ccc(N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
PKM P14618 3/20 0.68
SMN1; SMN2 Q16637 6/20 0.63
TP53 P04637 3/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
PGR P06401 1/20 0.63
CYP3A4 P08684 1/20 0.63
GAA P10253 1/20 0.63
DRD1 P21728 1/20 0.63
HTT P42858 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HTR1A P08908 1/20 0.59

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
SCHEMBL7346779 0.86 NPC1 (0.73) NPC1RAB9APKMSMN1; SMN2TP53
Acetic Acid SCHEMBL3681231 0.86 NPC1 (0.83) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL11666114 0.84 RAB9A (0.56) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL10881647 0.83 NPC1 (0.64) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL10799597 0.82 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL4946651 0.81 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL27170422 0.81 NPC1 (0.74) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL29611011 0.81 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL5579208 0.81 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL10115277 0.80 NPC1 (0.85) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57050960-A None JP disclosed
JP-54032464-A None JP disclosed
JP-53065871-A None JP disclosed
JP-52156857-A None JP disclosed
JP-55149255-A None JP 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
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP 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-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 EP disclosed
US-5112846-A Nonsteroidal antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1992-05-12 US disclosed
US-5075330-A N-hydroxyamide, N-hydroxythioamide, N-hydroxyurea, and N-hydroxythiourea derivatives of selected NSAIDS as antiinflammatory agents WARNER-LAMBERT CO. (US) 1991-12-24 US disclosed
US-4981865-A N-hydroxyamide, N-hydroxythioamide, hydroxyurea, and N-hydroxythiourea derivatives of selected nsaids as antiinflammatory agents WARNER-LAMBERT CO. (US) 1991-01-01 US disclosed
JP-S5750960-A PREPARATION OF NOVEL 4- 1-OXO-2-ISOINDOLINYL ACETOPHENONE HISAMITSU PHARMACEUT CO INC 1982-03-25 JP disclosed
JP-S55149255-A PREPARATION OF NOVEL 4-(1-OXO-2-ISOINDOLINYL)ACETOPHENONE HISAMITSU PHARMACEUT CO INC 1980-11-20 JP disclosed
US-4166125-A ANTIINFLAMMATORY AGENTS; LOW TOXICITY ANALGESIC, ANTIPYRETIC GRELAN PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 US disclosed
JP-S5432464-A PREPARATION OF 4-(1-OXO-2-ISOINDOLINYL)-ACETOPHENONE GRELAN PHARMACEUT CO LTD 1979-03-09 JP disclosed
JP-S5365871-A PREPARATION OF 4-(1-OXO-2-ISOINDONYL)ACETOPHENONE GRELAN PHARMACEUT CO LTD 1978-06-12 JP disclosed
JP-S52156857-A 4-(1-OXO-2-ISOINDOLINYL)ACETOPHENONE AND ITS PREPARATION GRELAN PHARMACEUT CO LTD 1977-12-27 JP 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-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B NPC1 1076/4885RAB9A 1487/4885PKM 1256/4885

“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.