SCHEMBL881829

SCHEMBL881829

O=C(O)c1ccc(N/N=C/c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 1.00
GAA P10253 14/20 1.00
NPC1 O15118 14/20 1.00
MAPT P10636 13/20 0.63
SMN1; SMN2 Q16637 8/20 0.63
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
MITF O75030 3/20 0.63
HPGD P15428 3/20 0.63
ALDH1A1 P00352 3/20 0.63
PKM P14618 2/20 0.63
PAX8 Q06710 2/20 0.63
XBP1 P17861 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
ATM Q13315 1/20 0.61
POLB P06746 3/20 0.60
KDM4E B2RXH2 2/20 0.60

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
SCHEMBL5777496 1.00 RAB9A (1.00) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL714966 0.85 RAB9A (0.74) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL714967 0.85 RAB9A (0.74) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL2681914 0.82 RAB9A (0.74) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL14438165 0.80 NOX1 (0.74) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL11127219 0.80 NOX1 (0.74) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL5775293 0.79 NPC1 (0.65) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL5779365 0.78 NPC1 (0.64) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL26915234 0.78 RAB9A (0.63) RAB9AGAANPC1MAPTSMN1; SMN2
SCHEMBL26915270 0.78 GAA (0.72) RAB9AGAANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454328-B1 POLYMERIC HAIR DYES BASF SE (DE) 2013-10-16 EP disclosed
US-8337569-B2 Polymeric hair dyes BASF SE (DE) 2012-12-25 US disclosed
US-20120110750-A1 POLYMERIC HAIR DYES BASF SE (DE) 2012-05-10 US disclosed
WO-2011006946-A9 POLYMERIC HAIR DYES BASF SE (DE) 2012-03-29 WO disclosed
WO-2011006946-A2 POLYMERIC HAIR DYES BASF SE (DE) 2011-01-20 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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 (2 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-20120110750-A1 POLYMERIC HAIR DYES CBR1, CBR3, HCRTR1 RAB9A 3059/4885GAA 4704/4885NPC1 1608/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT RAB9A 3127/4885GAA 3175/4885NPC1 952/4885

“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.