SCHEMBL2768041

SCHEMBL2768041

Fc1ccccc1NC(=S)Nc1noc2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 4/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
ALOX12 P18054 2/20 0.48
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2768775 0.83 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AALOX12KDM4E
SCHEMBL2767338 0.79 KMT2A (0.52) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL2439379 0.77 SMN1; SMN2 (0.70) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL2770366 0.75 DUSP3 (0.50) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2438649 0.73 SMN1; SMN2 (0.54) ALDH1A1MAPTKMT2ASMN1; SMN2TP53
SCHEMBL2767903 0.73 NPC1 (0.46) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL2768044 0.73 RAB9A (0.41) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL2788089 0.73 SMN1; SMN2 (0.46) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL2144487 0.71 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5449341 0.71 ALDH1A1 (0.70) ALDH1A1MAPTKMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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 (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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 ALDH1A1 1965/4885MAPT 2492/4885KMT2A 197/4885

“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.