SCHEMBL3553238

SCHEMBL3553238

C(=Cn1cnc2ccccc21)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 5/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
PKM P14618 2/20 0.42
TNF P01375 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
FGFR1 P11362 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 4/20 0.40

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
SCHEMBL537903 1.00 HSD17B10 (0.53) HSD17B10HTTTDP1NPC1ALDH1A1
SCHEMBL9696692 1.00 HSD17B10 (0.53) HSD17B10HTTTDP1NPC1ALDH1A1
SCHEMBL31069753 0.87 ALDH3A1 (0.46) HSD17B10HTTTDP1NPC1ALDH1A1
SCHEMBL10889581 0.85 TDP1 (0.52) HSD17B10HTTTDP1KMT2ATNF
SCHEMBL28796620 0.77 RAB9A (0.55) HSD17B10NPC1ALDH1A1RAB9AMAPT
SCHEMBL1589646 0.77 CYP1A1 (0.50) HTTNPC1ALDH1A1RAB9AMAPT
SCHEMBL1589650 0.77 CYP1A1 (0.50) HTTNPC1ALDH1A1RAB9AMAPT
SCHEMBL7804822 0.77 TDP1 (0.52) HSD17B10HTTTDP1KMT2ATNF
SCHEMBL29182106 0.75 TDP1 (0.43) HSD17B10HTTTDP1KMT2ATNF
SCHEMBL7810486 0.73 LMNA (0.46) HTTNPC1ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594624-A Preparation method of N-terminal alkenyl azaarene 长沙资材科技有限公司(CN) 2023-01-13 CN disclosed
CN-112745257-B (1R) -phenylamino- (2S) -2-aryl-2-nitrogen heteroaryl cyclopentane and preparation method and application thereof 河南大学 2022-03-01 CN disclosed
CN-112745257-A (1R) -phenylamino- (2S) -2-aryl-2-nitrogen heteroaryl cyclopentane and preparation method and application thereof 河南大学 2021-05-04 CN disclosed
EP-1401838-B1 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2014-03-26 EP disclosed
US-7732437-B2 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN PHARMACEUTICA, NV. (BE) 2010-06-08 US disclosed
CN-100478031-C The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2009-04-15 CN disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
EP-1451196-B1 The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
CN-1895673-A The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-01-17 CN disclosed
US-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN-CILAG GMBH (DE) 2005-03-31 US disclosed
EP-1451196-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-01 EP disclosed
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
EP-1401838-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-31 EP disclosed
WO-2003044023-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-30 WO disclosed
WO-2002100862-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2002-12-19 WO disclosed
WO-1992006086-A1 NOVEL 4-PIPERIDINYLCARBONYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-16 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-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure HRH2, HRH3, HRH4 HSD17B10 2827/4885HTT 2674/4885TDP1 3571/4885
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine AIFM1, PTGIS, ATP6V1B2 HSD17B10 1884/4885HTT 4117/4885TDP1 1616/4885

“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.