SCHEMBL3427977

SCHEMBL3427977

O=C(Nc1nccs1)c1nn(CCOc2ccccc2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.45

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
SCHEMBL3430696 0.95 ALDH1A1 (0.55) KCNA5ALDH1A1NPC1RAB9ARXFP1
SCHEMBL17038813 0.83 PTGER4 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30695024 0.83 PTGER4 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1606544 0.81 KMT2A (0.47) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1606326 0.80 KMT2A (0.48) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3432576 0.78 ELANE (0.54) KCNA5ALDH1A1NPC1RAB9ATP53
SCHEMBL3431965 0.77 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13671628 0.77 SCN9A (0.53) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3428867 0.75 PTGER4 (0.46) ALDH1A1NPC1RAB9ATP53HPGD
SCHEMBL3755136 0.75 RAB9A (0.54) ALDH1A1NPC1RAB9ATP53HPGD

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
EP-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP claimed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US claimed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 WO claimed
EP-2257340-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BioMarin IGA Limited (BS) 2010-12-08 EP disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 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-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY CPT1B, SMN1; SMN2, GYS1 KCNA5 4523/4885ALDH1A1 359/4885NPC1 2272/4885

“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.