SCHEMBL137429

SCHEMBL137429

C#Cc1ccc(N=Nc2ccc(C#C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP1B1 Q16678 2/20 0.36
CYP1A1 P04798 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL137428 1.00 HDAC8 (0.43) HDAC8MEN1KMT2ANPC1MAPT
SCHEMBL9861869 0.90 ALDH1A1 (0.57) HDAC8MEN1KMT2ANPC1MAPT
SCHEMBL9861852 0.90 ALDH1A1 (0.57) HDAC8MEN1KMT2ANPC1MAPT
SCHEMBL14123783 0.88 NPC1 (0.45) HDAC8MEN1KMT2ANPC1MAPT
SCHEMBL142294 0.86 HDAC8 (0.62) HDAC8MEN1KMT2ANPC1MAPT
SCHEMBL142295 0.86 HDAC8 (0.62) HDAC8MEN1KMT2ANPC1MAPT
SCHEMBL3501366 0.85 CA12 (0.45) HDAC8MEN1KMT2ANPC1MAPT
SCHEMBL28871 0.80 HDAC8 (0.59) HDAC8CA12CA1CA2CA4
SCHEMBL13797740 0.78 MAPT (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL11361558 0.78 CA12 (0.43) HDAC8TDP1CA12CA1CA2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945828-B1 Electronically weakly coupled 4,4′-divinylazobenzene-bridged diruthenium complex bearing two Ru(CO)Cl (PiPr3)2 moieties as an inorganic catalyst King Faisal University (SA) 2024-04-02 US claimed
EP-2433131-B1 Particles for long wavelength SERS, method of manufacture and method for tagging a material SICPA HOLDING SA (CH) 2016-07-06 EP claimed
US-9239327-B2 Particles comprising hollow surface-enhanced spectroscopy (SES)-active core for long wavelength SERS SICPA HOLDING SA (CH) 2016-01-19 US claimed
EP-2433131-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
US-20120057165-A1 Particles and Methods for Long Wavelength SERS CABOT SECURITY MATERIALS INC. (US) 2012-03-08 US claimed
WO-2010135354-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US claimed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US claimed
US-11987596-B1 Polyelectrochromism of electronically weakly coupled 4,4′-divinylazoarylene-bridged two Ru(CO)Cl(PiPr3)2 entities King Faisal University (SA) 2024-05-21 US disclosed
US-11945828-B1 Electronically weakly coupled 4,4′-divinylazobenzene-bridged diruthenium complex bearing two Ru(CO)Cl (PiPr3)2 moieties as an inorganic catalyst King Faisal University (SA) 2024-04-02 US disclosed
EP-2433131-B1 Particles for long wavelength SERS, method of manufacture and method for tagging a material SICPA HOLDING SA (CH) 2016-07-06 EP disclosed
US-9239327-B2 Particles comprising hollow surface-enhanced spectroscopy (SES)-active core for long wavelength SERS SICPA HOLDING SA (CH) 2016-01-19 US disclosed
EP-2433131-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS Cabot Security Materials Inc. (US) 2012-03-28 EP disclosed
US-20120057165-A1 Particles and Methods for Long Wavelength SERS CABOT SECURITY MATERIALS INC. (US) 2012-03-08 US disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US disclosed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 US 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-11945828-B1 Electronically weakly coupled 4,4′-divinylazobenzene-bridged diruthenium complex bearing two Ru(CO)Cl (PiPr3)2 moieties as an inorganic catalyst PIP4K2B, PIP4K2C, PIP4K2A HDAC8 2833/4885MEN1 4091/4885KMT2A 1828/4885
US-11987596-B1 Polyelectrochromism of electronically weakly coupled 4,4′-divinylazoarylene-bridged two Ru(CO)Cl(PiPr3)2 entities BICRA, LIG3, PIP4K2A HDAC8 2851/4885MEN1 2486/4885KMT2A 1084/4885

“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.