SCHEMBL1807134

SCHEMBL1807134

CCOc1ccc2c(N)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TERT O14746 1/20 0.46
ABCB11 O95342 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
MAPT P10636 2/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
KEAP1 Q14145 1/20 0.44
NQO1 P15559 1/20 0.43
GAA P10253 2/20 0.42

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
SCHEMBL1806056 0.87 CYP1A2 (0.53) TSHRTDP1MAPK1MTNR1AKDM4E
SCHEMBL207603 0.86 CYP3A4 (0.53) CYP3A4TP53MEN1KMT2ANPC1
SCHEMBL18210773 0.81 CYP1A2 (0.53) CYP3A4TP53MEN1KMT2ANPC1
SCHEMBL293760 0.81 CYP3A4 (0.46) CYP3A4TP53MEN1KMT2ANPC1
SCHEMBL3819303 0.81 CYP2D6 (0.46) CYP3A4TP53MEN1KMT2ANPC1
SCHEMBL30881789 0.80 CYP1A2 (0.55) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL1806698 0.80 CYP1A2 (0.55) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL15345386 0.80 TP53 (0.46) CYP3A4TP53MEN1KMT2ANPC1
SCHEMBL23634888 0.79 TP53 (0.44) CYP3A4TP53MEN1KMT2AALDH1A1
SCHEMBL1807132 0.79 TP53 (0.44) CYP3A4TP53MEN1KMT2AALDH1A1

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
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
EP-1678123-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES Bayer HealthCare AG (DE) 2006-07-12 EP disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CYP3A4 1680/4885TP53 276/4885MEN1 592/4885
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 CYP3A4 3099/4885TP53 879/4885MEN1 3857/4885

“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.