SCHEMBL6584237

SCHEMBL6584237

CNc1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 3/20 0.55
RECQL P46063 1/20 0.55
MAPT P10636 6/20 0.54
KMT2A Q03164 2/20 0.54
ALOX15 P16050 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HCAR3 P49019 1/20 0.46
PDE7A Q13946 2/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 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
SCHEMBL3322385 0.85 ALDH1A1 (0.59) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL30459805 0.85 ALDH1A1 (0.59) TSHRTDP1ALDH1A1CYP3A4RECQL
Hydrochloric Acid SCHEMBL27467893 0.84 ALDH1A1 (0.58) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL5341171 0.82 ALDH1A1 (0.50) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL28322481 0.81 TDP1 (0.58) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL7811895 0.81 MAPT (0.57) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL6437317 0.80 NPSR1 (0.52) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL8616062 0.79 MAPT (0.55) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL978709 0.79 TSHR (0.62) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL11554160 0.79 MAPT (0.56) TSHRTDP1ALDH1A1RECQLMAPT

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-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 WO disclosed
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-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed
WO-1998001105-A2 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 TSHR 1426/4885TDP1 3396/4885ALDH1A1 86/4885
US-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 TSHR 2959/4885TDP1 2540/4885ALDH1A1 26/4885

“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.