SCHEMBL381692

SCHEMBL381692

COc1cccc(-c2cc(C(N)=O)c(C)o2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 2/20 0.52
IKBKB O14920 3/20 0.51
CYP3A4 P08684 2/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 1/20 0.49
PARP1 P09874 2/20 0.49
CDC7 O00311 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL381400 0.87 ALDH1A1 (0.64) SLC9A1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL29742792 0.87 ALDH1A1 (0.64) SLC9A1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL3102220 0.86 MAPT (0.55) SLC9A1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL380970 0.83 ALDH1A1 (0.54) SLC9A1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL381429 0.81 CSNK2A2 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2HSD17B10
SCHEMBL3878827 0.81 NPC1 (0.55) SLC9A1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL6669312 0.78 SLC9A1 (0.73) SLC9A1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL381742 0.78 FAAH (0.55) SLC9A1KDM4EMAPK1SMN1; SMN2HPGD
SCHEMBL13802274 0.77 ALDH1A1 (0.54) SLC9A1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL31222240 0.77 AR (0.53) SLC9A1ALDH1A1KDM4ESMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 SLC9A1 1976/4885ALDH1A1 818/4885KDM4E 454/4885

“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.