SCHEMBL3413540

SCHEMBL3413540

O=C(Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1)NC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 7/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
EPHX1 P07099 5/20 0.49
EPHX2 P34913 3/20 0.46
PTPN7 P35236 1/20 0.44
LMNA P02545 2/20 0.44
AURKB Q96GD4 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3412407 0.95 JAK2 (0.47) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3410253 0.91 JAK2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3409274 0.91 JAK2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3408455 0.90 EPHX2 (0.46) NPC1KMT2AMEN1ALDH1A1EPHX2
SCHEMBL3415079 0.88 EPHX2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3403165 0.87 KMT2A (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3410853 0.87 ALDH1A1 (0.51) NPC1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3432307 0.87 LMNA (0.59) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3412412 0.87 USP2 (0.45) NPC1KMT2AMEN1ALDH1A1EPHX2
SCHEMBL3412408 0.87 USP2 (0.45) NPC1KMT2AMEN1ALDH1A1EPHX2

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
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP claimed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO 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 RAB9A 1281/4885NPC1 2931/4885KMT2A 822/4885

“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.