SCHEMBL2476858

SCHEMBL2476858

CNCc1cccc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 2/20 0.40
P2RX7 Q99572 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC4 P56524 1/20 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
SCHEMBL29791992 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL523614 0.86 NPSR1 (0.54) SMN1; SMN2NPSR1CYP3A4CXCR4
SCHEMBL943003 0.84 SMN1; SMN2 (0.64) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL14082023 0.81 CCR1 (0.52) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL21082496 0.81 SMN1; SMN2 (0.51) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL8783649 0.79 HRH3 (0.53) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL9777407 0.79 SMN1; SMN2 (0.68) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL1038536 0.79 SMN1; SMN2 (0.58) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL7333040 0.78 CXCR4 (0.52) SMN1; SMN2NPSR1CYP3A4CXCR4
SCHEMBL17828026 0.78 ADORA2A (0.43) SMN1; SMN2KDM1AMAOAMAOBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180991-B1 GAMBOGIC ACID DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2010-05-19 EP claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
EP-1180991-A4 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2005-10-12 EP claimed
EP-1506277-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2005-02-16 EP claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
WO-2003097780-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-11-27 WO claimed
CN-1440401-A Amino substituted dibenzothiophene derivatives for treatmnt of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2003-09-03 CN claimed
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2003-04-24 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
US-6462041-B1 ACTIVATORS OF CASPASE CASCADE; TREATING, PREVENTING OR AMELIORATING NEOPLASIA AND CANCER CYTOVIA, INC. 2002-10-08 US claimed
CN-1351646-A Composition and method for bleaching a substrate UNILEVER PLC (NL) 2002-05-29 CN claimed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
WO-2000044216-A1 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2000-08-03 WO claimed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
US-4578483-A PLANT GROWTH HORMONES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-25 US disclosed
EP-0112629-A1 Plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-04 EP disclosed
US-4097481-A ANTIARRHYTHMIC AGENTS RIKER LABORATORIES, INC. (US) 1978-06-27 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 (3 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-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CASP5, CASP3, CASP7 SMN1; SMN2 4344/4885KDM1A 2845/4885MAOA 4214/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R SMN1; SMN2 1621/4885KDM1A 4261/4885MAOA 1133/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 SMN1; SMN2 3565/4885KDM1A 4242/4885MAOA 595/4885

“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.