SCHEMBL7800550

SCHEMBL7800550

CCCNc1cc(NC(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
HCAR3 P49019 3/20 0.53
MAPT P10636 8/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
CRHBP P24387 1/20 0.49
RAB9A P51151 1/20 0.49
CRHR2 Q13324 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH3A1 P30838 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3717161 0.89 HCAR3 (0.50) HTTHCAR3MAPTALDH1A1NPC1
SCHEMBL2342996 0.89 HTT (0.59) HTTHCAR3MAPTALDH1A1TDP1
SCHEMBL10790188 0.84 HTT (0.68) HTTMAPTALDH1A1PKMTDP1
SCHEMBL7811924 0.83 HTT (0.56) HTTMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL7805730 0.81 HTT (0.78) HTTHCAR3MAPTALDH1A1TDP1
SCHEMBL12983948 0.79 HTT (0.60) HTTMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL10802959 0.78 HTT (0.68) HTTHCAR3MAPTALDH1A1PKM
SCHEMBL2334056 0.78 HTT (0.72) HTTHCAR3MAPTALDH1A1PKM
SCHEMBL11526803 0.78 HTT (0.71) HTTMAPTALDH1A1NPC1PKM
SCHEMBL11552885 0.77 HCAR3 (0.54) HCAR3MAPTALDH1A1NPC1PKM

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-20010052156-A1 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 2001-12-20 US disclosed
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 US disclosed
EP-0912160-A2 OXIDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-06 EP disclosed
EP-0910332-A2 DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-04-28 EP disclosed
WO-1998001105-A2 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 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 (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-20010052156-A1 DYES KRT18, OPRD1, HTR1D HTT 1345/4885HCAR3 69/4885MAPT 4151/4885
US-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 HTT 3880/4885HCAR3 795/4885MAPT 3633/4885

“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.