SCHEMBL11535997

SCHEMBL11535997

CCC1(C)c2ccccc2Nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
POLB P06746 1/20 0.44
HTR5A P47898 2/20 0.42
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS2 P35228 1/20 0.37
AKR1B1 P15121 1/20 0.37
HTR2A P28223 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL5500770 0.84 PDK2 (0.60) PDK2PDK4POLBALDH1A1SMN1; SMN2
SCHEMBL24740182 0.84 PDK2 (0.60) PDK2PDK4POLBALDH1A1SMN1; SMN2
SCHEMBL14691504 0.79 PDK2 (0.43) PDK2PDK4POLBHTR5AAKR1B1
Propane SCHEMBL28210963 0.79 PDK2 (0.59) PDK2PDK4POLBHTR5AAKR1B1
Propane SCHEMBL28225298 0.79 PDK2 (0.59) PDK2PDK4POLBHTR5AAKR1B1
SCHEMBL18647358 0.76 KMT2A (0.39) PDK2ALDH1A1SMN1; SMN2NOS2HTR2A
SCHEMBL29371027 0.75 PDK2 (0.67) PDK2PDK4POLBHTR5AAKR1B1
SCHEMBL31911 0.75 PDK2 (0.67) PDK2PDK4POLBHTR5AAKR1B1
SCHEMBL28706253 0.73 PDK2 (0.64) PDK2PDK4POLBHTR5AAKR1B1
SCHEMBL13827879 0.72 KMT2A (0.49) PDK2PDK4POLBHTR5ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169607-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-06-02 US disclosed
WO-2020205765-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-10-08 WO disclosed
EP-2705552-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-03-04 EP disclosed
US-20140061548-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent CmbH (DE) 2014-03-06 US disclosed
US-20140061548-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent CmbH (DE) 2014-03-06 US disclosed
WO-2012150001-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-08 WO disclosed
US-4132794-A 10-Imidoylacridan compositions MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4115571-A DIURETICS, SMOOTH MUSCLE RELAXANTS, ANTITHROMBOGENIC AGENTS MEAD JOHNSON & COMPANY (US) 1978-09-19 US disclosed
US-4094981-A SMOOTH MUSCLE RELAXANT EMPLOYING 10-IMIDOYLACRIDANS MEAD JOHNSON & COMPANY (US) 1978-06-13 US disclosed
US-4077959-A DIURETICS, SMOOTH MUSCLE RELAXANTS, ANTITHROMBOGENIC MEAD JOHNSON & COMPANY (US) 1978-03-07 US disclosed
US-4046891-A Smooth muscle relaxant process employing 10-imidoylphenoxazines MEAD JOHNSON & COMPANY (US) 1977-09-06 US disclosed
US-3962252-A 10-IMIDOYLACRIDANS MEAD JOHNSON & COMPANY (US) 1976-06-08 US disclosed
US-3946004-A DIURETICS, MUSCLE RELAXANTS, ANTITHROMBOGENIC AGENTS MEAD JOHNSON & COMPANY (US) 1976-03-23 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 (1 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-20220169607-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS PCNA, PPOX, PARP1 PDK2 643/4885PDK4 2453/4885POLB 187/4885

“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.