SCHEMBL3431355

SCHEMBL3431355

COc1cccc2c1C(Nc1ccc3cc(NC(=O)NC4CCS(=O)(=O)CC4)ccc3n1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
KMT2A Q03164 6/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KIT P10721 2/20 0.36
PDGFRA P16234 2/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3430017 0.92 NPC1 (0.45) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL3432212 0.88 NPC1 (0.44) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL3433103 0.88 NPC1 (0.44) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL3432219 0.88 NPC1 (0.44) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL3429172 0.88 NPC1 (0.44) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL3412100 0.87 SMN1; SMN2 (0.43) NPC1RAB9AATMSMN1; SMN2
SCHEMBL3415077 0.86 NPC1 (0.44) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL3433581 0.86 NPC1 (0.43) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL3433579 0.86 NPC1 (0.43) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL3406614 0.86 NPC1 (0.44) NPC1KMT2AMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A NPC1 2931/4885KMT2A 822/4885MAPT 2836/4885

“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.